1BioCAD format, all rights reserved 2Generated coords from CombiChem; Version 12.00-1 3NAME compound 1 4PROP 7 1 518 18 61 C 0 0.0000 -50.0 -94.0 86.0 3 6 2 11 U 72 C 0 0.0000 -188.0 -74.0 82.0 3 1 3 12 U 83 C 0 0.0000 -244.0 36.0 14.0 3 2 4 13 U 94 C 0 0.0000 -158.0 128.0 -50.0 3 3 5 14 U 105 C 0 0.0000 -18.0 108.0 -46.0 3 4 6 15 U 116 C 0 0.0000 38.0 -2.0 22.0 3 5 1 7 U 127 C 0 0.0000 186.0 -20.0 26.0 4 6 8 16 17 U 138 C 0 0.0000 260.0 106.0 22.0 3 7 9 10 U 149 O 0 0.0000 242.0 190.0 108.0 1 8 U 1510 O 0 0.0000 338.0 126.0 -68.0 2 8 18 U 1611 H 0 0.0000 -12.0 -174.0 136.0 1 1 U 1712 H 0 0.0000 -250.0 -142.0 130.0 1 2 U 1813 H 0 0.0000 -344.0 50.0 12.0 1 3 U 1914 H 0 0.0000 -198.0 208.0 -100.0 1 4 U 2015 H 0 0.0000 42.0 176.0 -92.0 1 5 U 2116 H 0 0.0000 210.0 -78.0 118.0 1 7 U 2217 H 0 0.0000 222.0 -84.0 -56.0 1 7 U 2318 H 0 0.0000 388.0 212.0 -72.0 1 10 U 241 1.500 1 6 0 0 252 1.500 2 1 0 0 263 1.500 3 2 0 0 274 1.500 4 3 0 0 285 1.500 5 4 0 0 296 1.500 6 5 0 0 307 1.000 7 6 0 0 318 1.000 8 7 0 0 329 2.000 9 8 0 0 3310 1.000 10 8 0 0 3411 1.000 1 11 0 0 3512 1.000 2 12 0 0 3613 1.000 3 13 0 0 3714 1.000 4 14 0 0 3815 1.000 5 15 0 0 3916 1.000 7 16 0 0 4017 1.000 7 17 0 0 4118 1.000 10 18 0 0 42CONFS 9 43NAME conf5 44 -50.0 -94.0 86.0 45 -188.0 -74.0 82.0 46 -244.0 36.0 14.0 47 -158.0 128.0 -50.0 48 -18.0 108.0 -46.0 49 38.0 -2.0 22.0 50 186.0 -20.0 26.0 51 260.0 106.0 22.0 52 242.0 190.0 108.0 53 338.0 126.0 -68.0 54 -12.0 -174.0 136.0 55 -250.0 -142.0 130.0 56 -344.0 50.0 12.0 57 -198.0 208.0 -100.0 58 42.0 176.0 -92.0 59 210.0 -78.0 118.0 60 222.0 -84.0 -56.0 61 388.0 212.0 -72.0 62 63NAME conf9 64 -50.0 -94.0 86.0 65 -188.0 -74.0 82.0 66 -244.0 36.0 14.0 67 -158.0 128.0 -50.0 68 -18.0 108.0 -46.0 69 38.0 -2.0 22.0 70 186.0 -20.0 26.0 71 260.0 106.0 22.0 72 338.0 126.0 -68.0 73 244.0 190.0 108.0 74 -12.0 -174.0 136.0 75 -250.0 -142.0 130.0 76 -344.0 50.0 12.0 77 -198.0 208.0 -100.0 78 42.0 176.0 -92.0 79 210.0 -78.0 118.0 80 222.0 -84.0 -56.0 81 296.0 276.0 104.0 82 83NAME conf6 84 -50.0 -94.0 86.0 85 -188.0 -74.0 82.0 86 -244.0 36.0 14.0 87 -158.0 128.0 -50.0 88 -18.0 108.0 -46.0 89 38.0 -2.0 22.0 90 186.0 -20.0 26.0 91 232.0 -88.0 148.0 92 290.0 -194.0 140.0 93 210.0 -40.0 258.0 94 -12.0 -174.0 136.0 95 -250.0 -142.0 130.0 96 -344.0 50.0 12.0 97 -198.0 208.0 -100.0 98 42.0 176.0 -92.0 99 216.0 -76.0 -62.0 100 240.0 74.0 20.0 101 240.0 -88.0 340.0 102 103NAME conf3 104 -50.0 -94.0 86.0 105 -188.0 -74.0 82.0 106 -244.0 36.0 14.0 107 -158.0 128.0 -50.0 108 -18.0 108.0 -46.0 109 38.0 -2.0 22.0 110 186.0 -20.0 26.0 111 232.0 -88.0 148.0 112 210.0 -40.0 258.0 113 290.0 -194.0 140.0 114 -12.0 -174.0 136.0 115 -250.0 -142.0 130.0 116 -344.0 50.0 12.0 117 -198.0 208.0 -100.0 118 42.0 176.0 -92.0 119 216.0 -76.0 -62.0 120 240.0 74.0 20.0 121 320.0 -242.0 224.0 122 123NAME conf4 124 -50.0 -94.0 86.0 125 -188.0 -74.0 82.0 126 -244.0 36.0 14.0 127 -158.0 128.0 -50.0 128 -18.0 108.0 -46.0 129 38.0 -2.0 22.0 130 186.0 -20.0 26.0 131 256.0 90.0 90.0 132 322.0 74.0 190.0 133 246.0 204.0 44.0 134 -12.0 -174.0 136.0 135 -250.0 -142.0 130.0 136 -344.0 50.0 12.0 137 -198.0 208.0 -100.0 138 42.0 176.0 -92.0 139 206.0 -116.0 80.0 140 228.0 -34.0 -74.0 141 292.0 280.0 90.0 142 143NAME conf2 144 -50.0 -94.0 86.0 145 -188.0 -74.0 82.0 146 -244.0 36.0 14.0 147 -158.0 128.0 -50.0 148 -18.0 108.0 -46.0 149 38.0 -2.0 22.0 150 186.0 -20.0 26.0 151 240.0 -22.0 162.0 152 202.0 -104.0 244.0 153 322.0 62.0 196.0 154 -12.0 -174.0 136.0 155 -250.0 -142.0 130.0 156 -344.0 50.0 12.0 157 -198.0 208.0 -100.0 158 42.0 176.0 -92.0 159 210.0 -114.0 -24.0 160 238.0 58.0 -30.0 161 356.0 62.0 290.0 162 163NAME conf7 164 -50.0 -94.0 86.0 165 -188.0 -74.0 82.0 166 -244.0 36.0 14.0 167 -158.0 128.0 -50.0 168 -18.0 108.0 -46.0 169 38.0 -2.0 22.0 170 186.0 -20.0 26.0 171 240.0 -22.0 162.0 172 322.0 60.0 196.0 173 202.0 -104.0 244.0 174 -12.0 -174.0 136.0 175 -250.0 -142.0 130.0 176 -344.0 50.0 12.0 177 -198.0 208.0 -100.0 178 42.0 176.0 -92.0 179 210.0 -114.0 -24.0 180 238.0 58.0 -30.0 181 238.0 -102.0 338.0 182 183NAME conf8 184 -50.0 -94.0 86.0 185 -188.0 -74.0 82.0 186 -244.0 36.0 14.0 187 -158.0 128.0 -50.0 188 -18.0 108.0 -46.0 189 38.0 -2.0 22.0 190 186.0 -20.0 26.0 191 248.0 44.0 142.0 192 240.0 164.0 156.0 193 310.0 -20.0 224.0 194 -12.0 -174.0 136.0 195 -250.0 -142.0 130.0 196 -344.0 50.0 12.0 197 -198.0 208.0 -100.0 198 42.0 176.0 -92.0 199 206.0 -128.0 28.0 200 234.0 18.0 -64.0 201 354.0 26.0 302.0 202 203NAME conf1 204 -50.0 -94.0 86.0 205 -188.0 -74.0 82.0 206 -244.0 36.0 14.0 207 -158.0 128.0 -50.0 208 -18.0 108.0 -46.0 209 38.0 -2.0 22.0 210 186.0 -20.0 26.0 211 240.0 -22.0 162.0 212 298.0 -118.0 206.0 213 226.0 76.0 234.0 214 -12.0 -174.0 136.0 215 -250.0 -142.0 130.0 216 -344.0 50.0 12.0 217 -198.0 208.0 -100.0 218 42.0 176.0 -92.0 219 210.0 -114.0 -24.0 220 238.0 58.0 -30.0 221 262.0 76.0 328.0 222 223