RDKit 3D 146147 0 0 0 0 0 0 0 0999 V2000 -4.6947 -2.0338 3.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -3.0312 1.9456 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6400 -4.1156 2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 -2.4207 0.6078 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9496 -1.7620 0.6764 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -2.3553 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -3.5670 -0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -1.7799 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -0.4030 0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 0.2823 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 -0.3697 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 1.6840 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1396 2.5604 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 2.4595 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 1.6184 -1.9254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.2187 -2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 2.1348 0.7115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 3.2706 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 3.8553 2.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.8064 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 2.9514 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 1.6538 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 1.2208 1.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 0.7424 -0.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1807 -0.0002 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -0.8974 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.2378 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -3.0406 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -2.5536 -4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -3.3815 -4.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 -1.2141 -4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -0.4079 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -0.1330 0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -0.2395 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 0.4151 -0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 -1.0668 1.3764 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6833 -2.4164 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 -3.2799 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8966 -4.5475 0.5919 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9413 -2.8757 -0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -1.0661 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 -0.0926 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 0.8684 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8924 -0.2655 0.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1034 -1.6379 0.1625 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 0.2617 1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 1.7520 1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 2.5145 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 3.9912 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1086 4.3346 1.3345 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2503 -1.4671 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -0.2402 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -1.7868 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 -0.7200 -0.7097 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5530 -0.7354 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4391 0.3181 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0212 1.6128 -2.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0893 2.3194 -3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1493 1.4792 -3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 0.2888 -3.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 -0.9428 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1450 -2.0949 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 0.1045 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -0.2139 0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8891 0.0471 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4059 -0.2894 2.8818 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1244 0.7088 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 1.7124 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5124 0.5336 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4892 1.4833 -0.3012 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.3239 2.0554 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3131 3.0145 0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2168 1.7429 1.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2883 0.9180 -1.4608 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.0440 -0.3235 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1756 1.8862 -1.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -2.4615 4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -1.0891 2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 -1.7878 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -3.5264 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 -3.7751 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9692 -4.6686 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 -4.8690 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -3.2711 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 -0.7931 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.9195 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -2.4224 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 0.0998 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9436 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 2.2969 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 3.6065 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 0.6204 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 1.9673 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 1.6202 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 4.8479 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 3.9091 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 3.2741 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 1.3671 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -0.6227 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 0.7708 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 -2.6467 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 -4.0936 -2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -3.4398 -4.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -0.7756 -5.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 0.6530 -3.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4621 -0.6918 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -0.4817 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3672 -2.9362 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 -2.3179 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -5.4522 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -4.6461 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 -1.8578 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8297 0.2921 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1129 -1.8760 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8139 -1.8059 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -0.2221 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0058 0.0607 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 2.0431 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1791 2.0702 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8655 2.2687 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0186 2.2990 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 4.1992 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 4.5943 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 4.4046 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9193 5.2647 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -2.7520 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0754 0.2334 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9722 -1.7074 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -0.6640 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 2.0255 -2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1351 1.7517 -3.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3439 -0.5495 -2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5719 1.0869 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2792 -1.2817 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0441 -0.6289 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5340 1.0879 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8390 -1.6012 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 -0.3108 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8988 2.3256 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3133 2.9455 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9573 3.8725 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5362 0.6725 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4715 -1.2368 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9674 -0.3263 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3874 -0.3744 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1048 1.5920 -1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 12 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 24 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 2 0 36 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 4 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 54 61 1 0 61 62 2 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 64 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 71 73 2 0 70 74 1 0 74 75 1 0 74 76 1 0 32 26 1 0 60 56 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 6 3 81 1 0 3 82 1 0 3 83 1 0 4 84 1 6 5 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 12 89 1 1 13 90 1 0 13 91 1 0 15 92 1 0 15 93 1 0 17 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 27101 1 0 28102 1 0 30103 1 0 31104 1 0 32105 1 0 33106 1 0 36107 1 1 37108 1 0 37109 1 0 39110 1 0 39111 1 0 41112 1 0 44113 1 6 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 53126 1 0 54127 1 6 55128 1 0 55129 1 0 57130 1 0 59131 1 0 60132 1 0 63133 1 0 64134 1 1 65135 1 0 65136 1 0 66137 1 0 69138 1 0 70139 1 6 72140 1 0 72141 1 0 74142 1 6 75143 1 0 75144 1 0 75145 1 0 76146 1 0 M END