RDKit 3D 99101 0 0 0 0 0 0 0 0999 V2000 2.1794 -0.8775 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 0.1902 -0.8408 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8711 1.5799 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 0.0510 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 1.0559 -1.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 0.9069 -0.8248 P 0 0 2 0 0 5 0 0 0 0 0 0 -3.0002 -0.1228 -1.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 2.3584 -1.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 0.3452 0.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 1.0850 1.5339 P 0 0 2 0 0 5 0 0 0 0 0 0 -4.3418 2.3633 0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 1.5849 3.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2461 0.0837 1.7456 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7282 -0.4277 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8913 -1.3021 0.7659 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9744 -0.7225 1.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9873 -1.7142 1.3021 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2255 -1.0436 1.2629 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7107 -0.3960 2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8747 0.1481 2.0802 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1605 -0.1322 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2281 0.1727 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2991 0.9383 0.4808 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1975 -0.2772 -1.3016 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1755 -1.0066 -1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1589 -1.2902 -0.9672 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1341 -0.8771 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6156 -2.6876 0.2931 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5203 -3.2824 -0.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5088 -1.9082 -0.4547 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0525 -1.1393 -1.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7088 -1.1232 -2.9378 P 0 0 1 0 0 5 0 0 0 0 0 0 -8.7637 -1.9261 -3.6835 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7785 0.4227 -3.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2366 -1.8864 -3.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 0.1077 -2.3282 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9533 1.1382 -2.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 0.3799 -2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 1.5482 -2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 -0.5203 -2.2633 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -0.1824 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0448 0.9148 -1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 1.2101 -1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 0.6803 -2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 2.1348 -0.9307 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 2.4512 -1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0548 3.4237 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9066 2.6098 1.5008 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0304 1.2288 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7361 0.9661 0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 0.4292 2.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1223 -0.6736 2.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2124 -1.5230 3.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3460 -0.0387 2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 -1.5367 1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -2.1960 1.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6580 -1.6114 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -0.5417 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 -1.8513 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -1.0338 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 1.5812 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 1.8108 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 2.3519 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 0.2144 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 -0.9405 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 2.3000 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 1.4488 3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -1.0495 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9245 0.4659 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -2.1486 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8938 -2.2140 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2377 -0.3177 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1726 1.9496 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1947 0.4749 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2003 -1.3502 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0135 -3.5322 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5634 -4.2631 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7768 -2.6173 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2401 1.0523 -3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -1.6867 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4382 -0.8426 -2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 0.7806 -3.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0098 -1.4923 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2683 -1.0451 -2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 0.1777 -3.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 0.5633 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 1.8020 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 2.5838 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 2.8857 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 1.5138 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4007 4.3348 -0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0971 3.7105 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 1.0448 3.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1001 -0.0058 3.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0498 -2.2389 3.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 -2.1048 3.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2771 -0.8820 4.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6184 0.3913 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6369 -1.3643 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 6 52 55 1 0 55 57 1 0 55 56 2 0 36 2 1 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 6 5 1 6 6 8 1 0 6 7 2 0 6 9 1 0 10 9 1 6 10 12 1 0 10 11 2 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 32 31 1 1 32 34 1 0 32 35 1 0 32 33 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 27 2 0 27 26 1 0 26 25 2 0 25 24 1 0 24 22 2 0 22 23 1 0 30 15 1 0 27 18 1 0 22 21 1 0 36 81 1 6 37 82 1 0 40 83 1 0 41 84 1 0 41 85 1 0 42 86 1 0 42 87 1 0 45 88 1 0 46 89 1 0 46 90 1 0 47 91 1 0 47 92 1 0 51 93 1 0 51 94 1 0 53 95 1 0 53 96 1 0 53 97 1 0 54 98 1 0 57 99 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 8 66 1 0 12 67 1 0 14 68 1 0 14 69 1 0 15 70 1 1 17 71 1 1 28 76 1 1 29 77 1 0 30 78 1 6 34 79 1 0 35 80 1 0 19 72 1 0 25 75 1 0 23 73 1 0 23 74 1 0 M END