1 600 Formamide (100 AMOEBA Molecules in 18.778 Ang Box) 2 1 C -4.758803 0.386011 -2.933599 99 2 3 4 3 2 H -3.664878 0.699931 -2.862796 100 1 4 3 O -5.272179 -0.382777 -2.097398 101 1 5 4 N -5.371783 0.911068 -3.971425 102 1 5 6 6 5 H -6.244964 0.464509 -4.292564 103 4 7 6 H -4.828215 1.349684 -4.683716 103 4 8 7 C -6.866284 -4.100639 -4.078653 99 8 9 10 9 8 H -6.199218 -4.984574 -4.319549 100 7 10 9 O -7.517695 -3.445476 -4.951921 101 7 11 10 N -6.765796 -3.933739 -2.766302 102 7 11 12 12 11 H -7.409761 -3.242497 -2.245728 103 10 13 12 H -6.049921 -4.387800 -2.166513 103 10 14 13 C -0.542524 2.494127 -8.587050 99 14 15 16 15 14 H 0.122301 3.333423 -8.238743 100 13 16 15 O -1.709812 2.725518 -8.952650 101 13 17 16 N 0.049661 1.294850 -8.568791 102 13 17 18 18 17 H -0.572022 0.474331 -8.602208 103 16 19 18 H 1.023839 1.302900 -8.293536 103 16 20 19 C 2.977497 -2.756463 -8.504966 99 20 21 22 21 20 H 2.800944 -3.739180 -7.985756 100 19 22 21 O 3.112680 -2.660049 -9.789943 101 19 23 22 N 2.918094 -1.789571 -7.641901 102 19 23 24 24 23 H 2.967441 -0.794011 -7.953306 103 22 25 24 H 2.630544 -2.062432 -6.668905 103 22 26 25 C -3.840949 9.214756 -9.164053 99 26 27 28 27 26 H -2.988590 9.888397 -9.099844 100 25 28 27 O -4.895564 9.577899 -8.639814 101 25 29 28 N -3.636830 8.160170 -9.902221 102 25 29 30 30 29 H -4.287408 7.364521 -9.935493 103 28 31 30 H -2.712148 7.985477 -10.382781 103 28 32 31 C 3.168839 8.281491 -5.366489 99 32 33 34 33 32 H 4.086598 7.846160 -5.973181 100 31 34 33 O 3.229941 8.553345 -4.162091 101 31 35 34 N 2.070065 8.304606 -6.137556 102 31 35 36 36 35 H 1.149374 8.663631 -5.755047 103 34 37 36 H 2.119725 8.044200 -7.161138 103 34 38 37 C -7.836410 -9.222001 -3.288756 99 38 39 40 39 38 H -8.795183 -8.909400 -2.768574 100 37 40 39 O -7.710881 -10.017634 -4.188955 101 37 41 40 N -6.826697 -8.490527 -2.783871 102 37 41 42 42 41 H -5.873695 -8.533951 -3.139173 103 40 43 42 H -6.979955 -7.749351 -2.061602 103 40 44 43 C -1.546973 -9.014027 -5.858607 99 44 45 46 45 44 H -1.191594 -8.533637 -6.792262 100 43 46 45 O -0.915595 -9.978828 -5.418571 101 43 47 46 N -2.627804 -8.493256 -5.277040 102 43 47 48 48 47 H -3.022642 -9.067295 -4.497194 103 46 49 48 H -3.334054 -7.980520 -5.851103 103 46 50 49 C -8.180511 1.997664 4.578825 99 50 51 52 51 50 H -7.512000 2.435676 3.841770 100 49 52 51 O -9.013492 2.606758 5.249357 101 49 53 52 N -8.103171 0.680885 4.537880 102 49 53 54 54 53 H -8.494585 0.143389 5.385397 103 52 55 54 H -7.287686 0.251980 4.055016 103 52 56 55 C -9.401428 -1.575186 7.161431 99 56 57 58 57 56 H -10.260054 -2.200189 7.574789 100 55 58 57 O -9.522206 -0.391012 6.939976 101 55 59 58 N -8.320666 -2.329299 6.898185 102 55 59 60 60 59 H -7.493382 -1.815045 6.535758 103 58 61 60 H -8.253279 -3.328434 7.071161 103 58 62 61 C -2.954063 -6.395685 5.996740 99 62 63 64 63 62 H -3.109391 -7.145716 6.862829 100 61 64 63 O -3.194444 -6.619401 4.771012 101 61 65 64 N -2.370600 -5.269285 6.417555 102 61 65 66 66 65 H -2.093822 -4.478923 5.757556 103 64 67 66 H -2.402143 -5.120643 7.473498 103 64 68 67 C -3.938566 -6.395590 -1.700944 99 68 69 70 69 68 H -3.607462 -7.523053 -1.744030 100 67 70 69 O -5.126256 -6.159289 -1.497818 101 67 71 70 N -2.998409 -5.503450 -2.037990 102 67 71 72 72 71 H -3.214426 -4.533201 -2.125461 103 70 73 72 H -2.066166 -5.837517 -2.376650 103 70 74 73 C -5.180572 -3.267430 0.923139 99 74 75 76 75 74 H -5.798902 -3.743757 1.674902 100 73 76 75 O -4.032381 -3.593662 0.773189 101 73 77 76 N -5.892024 -2.451278 0.223067 102 73 77 78 78 77 H -5.525421 -1.938570 -0.579506 103 76 79 78 H -6.855107 -2.187071 0.535467 103 76 80 79 C 0.011874 -7.915061 -2.752382 99 80 81 82 81 80 H -0.533032 -8.588619 -3.405737 100 79 82 81 O -0.585177 -6.942838 -2.201245 101 79 83 82 N 1.257189 -8.357220 -2.689532 102 79 83 84 84 83 H 1.936176 -7.787734 -2.147172 103 82 85 84 H 1.505555 -9.131746 -3.235892 103 82 86 85 C -5.952859 4.904512 5.685390 99 86 87 88 87 86 H -5.233866 5.765062 5.577286 100 85 88 87 O -5.507948 3.716563 5.581901 101 85 89 88 N -7.246739 5.143466 5.677002 102 85 89 90 90 89 H -7.918828 4.352681 5.780446 103 88 91 90 H -7.600608 6.119817 5.798520 103 88 92 91 C -1.974187 4.854284 7.544650 99 92 93 94 93 92 H -1.825030 3.840505 7.819678 100 91 94 93 O -1.358694 5.846859 7.982804 101 91 95 94 N -2.777267 4.798494 6.501607 102 91 95 96 96 95 H -3.213515 5.607932 6.065115 103 94 97 96 H -3.081949 3.880656 6.152947 103 94 98 97 C 3.052003 4.018775 -6.003866 99 98 99 100 99 98 H 3.560891 3.266411 -5.322550 100 97 100 99 O 1.884652 3.889792 -6.276103 101 97 101 100 N 3.816317 5.063008 -6.395152 102 97 101 102 102 101 H 3.439123 5.814090 -6.963125 103 100 103 102 H 4.809913 4.992619 -6.268909 103 100 104 103 C 6.532157 -0.971568 -4.592874 99 104 105 106 105 104 H 6.189179 0.088731 -4.537561 100 103 106 105 O 6.142992 -1.777704 -3.682294 101 103 107 106 N 7.201192 -1.207815 -5.700792 102 103 107 108 108 107 H 7.734042 -2.063990 -5.834120 103 106 109 108 H 7.474182 -0.381749 -6.216558 103 106 110 109 C -8.063092 3.211844 -4.950030 99 110 111 112 111 110 H -7.840213 2.738401 -3.898138 100 109 112 111 O -8.499092 4.378724 -5.147703 101 109 113 112 N -7.776383 2.339441 -5.880456 102 109 113 114 114 113 H -7.731131 2.517348 -6.899217 103 112 115 114 H -7.484930 1.399160 -5.651730 103 112 116 115 C -7.569994 0.968934 -0.093581 99 116 117 118 117 116 H -6.486650 1.065927 0.285186 100 115 118 117 O -7.991343 -0.186988 -0.246814 101 115 119 118 N -8.215689 2.082083 -0.303778 102 115 119 120 120 119 H -9.221065 2.111682 -0.504151 103 118 121 120 H -7.877385 2.998243 -0.010390 103 118 122 121 C -8.157641 8.950956 4.229891 99 122 123 124 123 122 H -8.569757 9.786130 4.770044 100 121 124 123 O -8.202125 7.799972 4.746628 101 121 125 124 N -7.555762 9.264694 3.064964 102 121 125 126 126 125 H -6.901308 8.591195 2.640617 103 124 127 126 H -7.570555 10.258083 2.807748 103 124 128 127 C -6.323291 1.929847 9.233777 99 128 129 130 129 128 H -5.213736 2.033463 9.225110 100 127 130 129 O -7.046183 2.565224 9.987370 101 127 131 130 N -6.775285 1.042300 8.299151 102 127 131 132 132 131 H -7.797375 0.949404 8.123777 103 130 133 132 H -6.135382 0.627610 7.601663 103 130 134 133 C -0.697893 -1.900840 8.021719 99 134 135 136 135 134 H -0.357248 -1.396592 8.936887 100 133 136 135 O -0.839733 -3.096263 7.999549 101 133 137 136 N -0.819528 -1.146506 6.927623 102 133 137 138 138 137 H -1.076708 -1.621554 6.023469 103 136 139 138 H -0.818300 -0.111610 7.101121 103 136 140 139 C -1.675192 -6.164181 -8.613883 99 140 141 142 141 140 H -1.560657 -7.007677 -7.914708 100 139 142 141 O -2.473440 -6.365910 -9.558054 101 139 143 142 N -0.959527 -5.028271 -8.408954 102 139 143 144 144 143 H -1.084757 -4.189570 -9.044344 103 142 145 144 H -0.042705 -5.119908 -7.909135 103 142 146 145 C 6.585402 8.006911 3.081059 99 146 147 148 147 146 H 6.226403 7.032575 2.729820 100 145 148 147 O 6.678229 8.256062 4.283229 101 145 149 148 N 6.744420 8.857641 2.034534 102 145 149 150 150 149 H 7.207523 9.782641 2.074730 103 148 151 150 H 6.923623 8.437648 1.093046 103 148 152 151 C -8.978965 -2.720105 3.252808 99 152 153 154 153 152 H -9.083313 -2.092697 4.102095 100 151 154 153 O -8.704732 -3.960999 3.375406 101 151 155 154 N -9.017808 -2.066910 2.087021 102 151 155 156 156 155 H -8.985906 -2.627627 1.213870 103 154 157 156 H -9.207890 -1.067239 1.975722 103 154 158 157 C 4.912747 -8.944107 -9.062698 99 158 159 160 159 158 H 4.996394 -9.994930 -9.553498 100 157 160 159 O 4.764193 -7.954713 -9.715331 101 157 161 160 N 4.994847 -9.166842 -7.776387 102 157 161 162 162 161 H 5.102683 -8.348011 -7.215228 103 160 163 162 H 5.385852 -10.025757 -7.367462 103 160 164 163 C 6.148664 5.572987 -9.442886 99 164 165 166 165 164 H 6.097288 6.731078 -9.433721 100 163 166 165 O 5.955972 4.886617 -10.431681 101 163 167 166 N 6.437253 5.034014 -8.294048 102 163 167 168 168 167 H 6.774195 4.020848 -8.142140 103 166 169 168 H 6.680041 5.746899 -7.548699 103 166 170 169 C -8.730052 -4.877342 -0.286909 99 170 171 172 171 170 H -8.642911 -5.628649 -1.138617 100 169 172 171 O -8.840414 -3.620674 -0.373042 101 169 173 172 N -8.734108 -5.498955 0.843108 102 169 173 174 174 173 H -8.879419 -4.998051 1.746868 103 172 175 174 H -8.792781 -6.504263 0.743454 103 172 176 175 C -5.068871 -7.211378 2.125567 99 176 177 178 177 176 H -4.054360 -6.712108 2.174257 100 175 178 177 O -5.821372 -7.103522 3.070784 101 175 179 178 N -5.359323 -7.770976 0.919840 102 175 179 180 180 179 H -6.296698 -8.090798 0.693220 103 178 181 180 H -4.675575 -7.703312 0.148065 103 178 182 181 C 3.451879 -5.105581 -1.385066 99 182 183 184 183 182 H 3.768094 -4.051903 -1.089711 100 181 184 183 O 2.698683 -5.250744 -2.325272 101 181 185 184 N 4.023920 -6.140699 -0.745483 102 181 185 186 186 185 H 3.980621 -7.048874 -1.139557 103 184 187 186 H 4.990504 -5.953692 -0.280584 103 184 188 187 C 8.007524 -6.846608 3.481463 99 188 189 190 189 188 H 8.062474 -5.697235 3.580052 100 187 190 189 O 8.659145 -7.545555 2.747367 101 187 191 190 N 6.954479 -7.303249 4.221253 102 187 191 192 192 191 H 6.859848 -8.303955 4.276191 103 190 193 192 H 6.372124 -6.748952 4.874962 103 190 194 193 C 6.693458 -8.542040 -3.128780 99 194 195 196 195 194 H 6.672374 -9.643269 -2.855807 100 193 196 195 O 7.555384 -7.787186 -2.657190 101 193 197 196 N 5.749371 -8.330485 -4.010521 102 193 197 198 198 197 H 5.749216 -7.427744 -4.570290 103 196 199 198 H 5.056701 -9.041595 -4.169096 103 196 200 199 C -7.503902 5.730922 -2.590005 99 200 201 202 201 200 H -6.775940 5.638612 -3.420896 100 199 202 201 O -8.704556 6.000585 -2.796481 101 199 203 202 N -6.953991 5.492426 -1.387577 102 199 203 204 204 203 H -7.565971 5.693720 -0.536380 103 202 205 204 H -6.027665 5.158610 -1.276248 103 202 206 205 C -4.068889 1.005266 -7.080550 99 206 207 208 207 206 H -4.559072 0.170178 -6.534115 100 205 208 207 O -4.010414 2.134259 -6.526918 101 205 209 208 N -3.543253 0.659517 -8.235314 102 205 209 210 210 209 H -2.913850 1.170077 -8.807889 103 208 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6.155191 0.322050 100 229 232 231 O -1.769411 7.071836 2.038318 101 229 233 232 N -0.764305 8.079134 0.228526 102 229 233 234 234 233 H -0.556179 8.913174 0.772358 103 232 235 234 H -0.384131 7.880211 -0.704348 103 232 236 235 C -3.820662 3.773268 -1.266427 99 236 237 238 237 236 H -2.740051 3.494524 -1.567044 100 235 238 237 O -4.380723 4.790669 -1.662399 101 235 239 238 N -4.405885 2.818079 -0.529064 102 235 239 240 240 239 H -5.393122 2.846056 -0.213727 103 238 241 240 H -3.915533 1.958682 -0.612880 103 238 242 241 C -5.579656 -6.636310 -6.357967 99 242 243 244 243 242 H -6.441913 -5.946242 -6.053298 100 241 244 243 O -4.508334 -6.251312 -6.655765 101 241 245 244 N -5.846346 -7.928076 -6.077585 102 241 245 246 246 245 H -5.295658 -8.665359 -6.509231 103 244 247 246 H -6.728827 -8.161894 -5.644820 103 244 248 247 C -0.668714 6.045061 -6.797204 99 248 249 250 249 248 H 0.325294 5.889352 -7.200308 100 247 250 249 O -1.145895 5.820060 -5.642595 101 247 251 250 N -1.489450 6.498225 -7.748779 102 247 251 252 252 251 H -2.493530 6.513306 -7.539203 103 250 253 252 H -1.176155 6.501723 -8.728182 103 250 254 253 C 4.327896 1.565955 -8.487048 99 254 255 256 255 254 H 5.130149 1.658330 -7.666926 100 253 256 255 O 3.292158 0.924253 -8.285034 101 253 257 256 N 4.633281 2.110035 -9.664478 102 253 257 258 258 257 H 4.222100 1.745577 -10.563454 103 256 259 258 H 5.373909 2.803227 -9.816721 103 256 260 259 C -8.263210 -1.385025 -8.232030 99 260 261 262 261 260 H -8.126786 -1.822034 -9.194477 100 259 262 261 O -9.266360 -0.714197 -7.962542 101 259 263 262 N -7.303479 -1.669748 -7.406681 102 259 263 264 264 263 H -7.323841 -1.501390 -6.382798 103 262 265 264 H -6.410579 -1.991326 -7.786096 103 262 266 265 C 3.696113 -6.586190 2.885641 99 266 267 268 267 266 H 4.305376 -7.032512 2.075028 100 265 268 267 O 2.956116 -7.352436 3.586335 101 265 269 268 N 3.639098 -5.310040 2.737892 102 265 269 270 270 269 H 2.965989 -4.928315 3.446796 103 268 271 270 H 4.242968 -4.806169 2.114061 103 268 272 271 C 4.581254 9.164647 6.249721 99 272 273 274 273 272 H 5.312668 9.953369 6.177103 100 271 274 273 O 4.894076 8.157627 6.920235 101 271 275 274 N 3.383712 9.336994 5.730483 102 271 275 276 276 275 H 2.672716 8.606248 5.797629 103 274 277 276 H 3.164380 10.279665 5.348279 103 274 278 277 C -8.335524 -4.610500 -8.873652 99 278 279 280 279 278 H -7.802605 -5.029658 -7.969626 100 277 280 279 O -7.760145 -4.452945 -9.992992 101 277 281 280 N -9.569291 -4.302092 -8.547690 102 277 281 282 282 281 H -10.086664 -3.753573 -9.184464 103 280 283 282 H -9.874455 -4.363127 -7.543518 103 280 284 283 C 8.246366 -5.551445 6.802970 99 284 285 286 285 284 H 8.079456 -6.381722 7.524394 100 283 286 285 O 7.322522 -4.657592 6.613395 101 283 287 286 N 9.322567 -5.571231 6.024484 102 283 287 288 288 287 H 9.415163 -5.002146 5.185014 103 286 289 288 H 10.033513 -6.244031 6.324706 103 286 290 289 C 3.404782 1.037215 -3.413222 99 290 291 292 291 290 H 4.015083 0.328629 -4.034523 100 289 292 291 O 2.284420 0.710129 -2.997342 101 289 293 292 N 3.912608 2.247846 -3.387705 102 289 293 294 294 293 H 3.565002 2.959457 -2.744347 103 292 295 294 H 4.784762 2.467479 -3.870762 103 292 296 295 C 3.516933 -0.732673 0.270744 99 296 297 298 297 296 H 3.306570 -1.006609 1.356957 100 295 298 297 O 4.285382 0.205676 0.020162 101 295 299 298 N 2.826372 -1.480591 -0.626008 102 295 299 300 300 299 H 2.829100 -1.225963 -1.647230 103 298 301 300 H 2.092607 -2.043807 -0.215386 103 298 302 301 C 7.464518 1.160069 2.489610 99 302 303 304 303 302 H 7.897885 1.561498 3.400354 100 301 304 303 O 8.080904 0.282646 1.861400 101 301 305 304 N 6.331380 1.702071 2.156995 102 301 305 306 306 305 H 5.790148 1.421397 1.357245 103 304 307 306 H 5.952082 2.369660 2.893715 103 304 308 307 C 5.247005 -2.760341 4.519810 99 308 309 310 309 308 H 5.541693 -3.823462 4.303203 100 307 310 309 O 4.466714 -2.324867 3.605179 101 307 311 310 N 5.664037 -2.113951 5.638488 102 307 311 312 312 311 H 5.278121 -1.155781 5.869053 103 310 313 312 H 6.443768 -2.529025 6.194299 103 310 314 313 C 0.137869 -0.502637 2.552667 99 314 315 316 315 314 H 0.356219 0.094503 3.468352 100 313 316 315 O -0.633167 -0.037526 1.724963 101 313 317 316 N 0.663705 -1.724624 2.559040 102 313 317 318 318 317 H 0.426958 -2.302033 1.738592 103 316 319 318 H 1.053572 -2.323997 3.307934 103 316 320 319 C -1.168174 -7.891278 2.774686 99 320 321 322 321 320 H -1.081853 -6.937894 3.313579 100 319 322 321 O -0.403898 -8.190301 1.771506 101 319 323 322 N -2.034957 -8.782648 3.168107 102 319 323 324 324 323 H -2.142082 -9.709661 2.718188 103 322 325 324 H -2.465442 -8.517055 4.032365 103 322 326 325 C 4.385798 5.941775 -2.666027 99 326 327 328 327 326 H 3.314974 6.049527 -2.946658 100 325 328 327 O 4.821502 4.853381 -2.259773 101 325 329 328 N 5.201924 7.007136 -2.822505 102 325 329 330 330 329 H 6.031010 6.887421 -2.251977 103 328 331 330 H 4.712744 7.922966 -2.717434 103 328 332 331 C -8.636295 -0.629542 -3.427825 99 332 333 334 333 332 H 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