RDKit 3D 94100 0 0 0 0 0 0 0 0999 V2000 -5.4844 -1.4236 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 -1.1516 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3314 -0.4578 1.2763 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7152 0.8532 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.6302 0.0679 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6070 2.2012 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7427 2.9078 -1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 3.4190 -3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 2.9159 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 2.5576 2.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0763 1.2378 2.2116 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7281 0.5458 3.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 0.5094 4.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 0.3572 1.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3543 -0.1189 0.8355 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9198 -0.8885 1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8597 -1.8722 1.3462 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1944 -3.2303 1.2159 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0052 -3.7239 2.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -4.7895 2.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -3.2367 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.0783 -0.4395 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6317 -2.3989 -1.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 -2.8496 -2.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -3.0810 -4.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -3.0833 -2.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 -0.9811 -0.3709 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0519 -1.3823 -0.0478 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9403 -0.3139 -0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -0.3111 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -1.3972 -1.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 0.7552 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 1.9777 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8639 2.9578 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 2.7698 -1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 3.7740 -1.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8263 5.0245 -1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 1.5458 -2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 0.5704 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 -1.5137 -0.0847 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9335 -0.3386 -1.0764 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2244 -0.4451 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2619 -0.7394 -2.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5922 0.8901 -0.2703 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9509 -0.8548 1.1823 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5300 -1.2660 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 -2.5042 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2667 -0.7581 2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -2.0923 2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 -0.5069 3.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7478 0.8087 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8888 1.4344 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 3.0450 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 1.5394 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 4.1110 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 2.6165 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 4.0323 -3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 3.5792 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 3.3641 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 3.3864 2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 2.6349 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 1.4623 2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.5873 4.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 0.1228 5.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 -0.0548 4.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0157 0.7895 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.2051 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -1.4453 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -2.0361 1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 -3.8822 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9439 -4.4580 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 -5.4951 1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -5.2452 3.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 -3.3376 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -4.2250 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9318 -2.1095 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -3.7309 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.4814 -4.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -0.3808 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4296 -2.1793 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 2.1285 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 3.9202 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 5.0195 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5053 5.7251 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 5.5090 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 1.3279 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 -0.3968 -2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 -2.2942 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -0.4870 -1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7584 0.0248 -3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 -1.7442 -3.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 -0.7528 -3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 1.5594 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.3985 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 6 6 7 1 0 7 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 11 1 1 14 15 1 0 15 16 1 0 16 17 1 0 17 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 35 38 1 0 38 39 2 0 28 27 1 0 27 22 1 0 22 21 1 0 21 18 1 0 18 19 1 0 19 20 1 0 22 23 1 6 23 24 1 0 24 25 1 0 24 26 2 0 22 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 41 44 1 0 40 45 1 0 45 3 1 0 44 5 1 0 44 14 1 0 45 14 1 0 27 15 1 0 18 17 1 0 39 32 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 4 51 1 0 4 52 1 0 6 53 1 0 6 54 1 0 8 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 10 61 1 0 11 62 1 1 13 63 1 0 13 64 1 0 13 65 1 0 15 66 1 6 16 67 1 0 16 68 1 0 17 69 1 1 28 80 1 6 33 81 1 0 34 82 1 0 37 83 1 0 37 84 1 0 37 85 1 0 38 86 1 0 39 87 1 0 27 79 1 6 21 74 1 0 21 75 1 0 18 70 1 6 20 71 1 0 20 72 1 0 20 73 1 0 25 76 1 0 25 77 1 0 25 78 1 0 40 88 1 6 41 89 1 6 43 90 1 0 43 91 1 0 43 92 1 0 44 93 1 6 45 94 1 1 M END