11W1G_4PT_A_1550 2 RDKit 3D 3 4 55 55 0 0 0 0 0 0 0 0999 V2000 5 11.5310 38.4930 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 6 10.6780 37.4030 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 7 9.6760 37.1030 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 8 8.9630 35.9040 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 9 10.3790 36.8950 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 10 9.3870 36.7360 3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 11 9.6300 37.4190 4.9690 P 0 0 0 0 0 0 0 0 0 0 0 0 12 8.3200 37.0290 5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 13 9.8570 38.8910 4.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 14 10.9320 36.7720 5.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 15 10.8780 35.3570 5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 16 10.5370 35.0660 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 17 11.5220 35.6490 8.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 18 10.5860 33.5280 7.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 19 10.3290 33.2360 8.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 20 8.9990 32.3560 9.1710 P 0 0 0 0 0 0 0 0 0 0 0 0 21 7.7630 33.1270 8.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 22 8.9080 32.3040 10.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 23 9.0770 31.0100 8.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 24 11.9580 32.9330 7.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 25 11.9070 31.5000 7.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 26 12.4650 30.7320 8.6070 P 0 0 0 0 0 0 0 0 0 0 0 0 27 11.1270 29.9890 9.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 28 13.5520 29.7770 8.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 29 13.1510 31.6880 9.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 30 12.3740 33.3010 5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 31 13.7360 32.9650 5.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 32 14.1580 31.5880 4.8630 P 0 0 0 0 0 0 0 0 0 0 0 0 33 14.9470 30.7790 5.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 34 15.3040 31.9520 3.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 35 12.9410 30.8620 4.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 36 12.2340 34.7920 5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 37 12.4830 35.0130 4.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 38 11.5574 38.5267 1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 39 10.1387 37.6888 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 40 11.2861 36.5102 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 41 8.9990 37.9683 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 42 8.7026 35.4660 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 43 11.0080 35.9938 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 44 11.0093 37.7677 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 45 8.5321 37.0921 6.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 46 10.0816 34.8902 5.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 47 9.5443 35.4852 7.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 48 11.2625 35.4954 9.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 49 9.8264 33.0860 6.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 50 7.2206 33.4654 9.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 51 9.6981 32.7555 11.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 52 12.6765 33.3388 7.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 53 11.0679 29.9562 10.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 54 14.0463 29.3427 8.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 55 11.7367 32.7722 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 56 14.6480 31.0856 6.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 57 16.1149 32.2096 4.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 58 12.9557 35.3086 6.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 59 13.2192 35.6664 3.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 60 1 2 1 0 61 2 3 1 0 62 3 4 1 0 63 3 5 1 0 64 5 6 1 0 65 6 7 1 0 66 7 8 1 0 67 7 9 2 0 68 7 10 1 0 69 10 11 1 0 70 11 12 1 0 71 11 32 1 0 72 12 13 1 0 73 12 14 1 0 74 14 15 1 0 75 14 20 1 0 76 15 16 1 0 77 16 17 1 0 78 16 18 1 0 79 16 19 2 0 80 20 21 1 0 81 20 26 1 0 82 21 22 1 0 83 22 23 1 0 84 22 24 1 0 85 22 25 2 0 86 26 27 1 0 87 26 32 1 0 88 27 28 1 0 89 28 29 1 0 90 28 30 1 0 91 28 31 2 0 92 32 33 1 0 93 1 34 1 0 94 2 35 1 0 95 2 36 1 0 96 3 37 1 0 97 4 38 1 0 98 5 39 1 0 99 5 40 1 0 100 8 41 1 0 101 11 42 1 0 102 12 43 1 0 103 13 44 1 0 104 14 45 1 0 105 17 46 1 0 106 18 47 1 0 107 20 48 1 0 108 23 49 1 0 109 24 50 1 0 110 26 51 1 0 111 29 52 1 0 112 30 53 1 0 113 32 54 1 0 114 33 55 1 0 115A 1 116O0F 117A 2 118C0E 119A 3 120C0C 121A 4 122O0D 123A 5 124C0B 125A 6 126OP1 127A 7 128P1 129A 8 130OP3 131A 9 132OP2 133A 10 134O1 135A 11 136C1 137A 12 138C2 139A 13 140O2 141A 14 142C3 143A 15 144O3 145A 16 146P3 147A 17 148O11 149A 18 150O10 151A 19 152O12 153A 20 154C4 155A 21 156O4 157A 22 158P4 159A 23 160OP5 161A 24 162OP6 163A 25 164OP4 165A 26 166C5 167A 27 168O5 169A 28 170P5 171A 29 172OP8 173A 30 174OP7 175A 31 176OP9 177A 32 178C6 179A 33 180O6 181M END 182