RDKit 3D 100105 0 0 0 0 0 0 0 0999 V2000 6.7346 3.8125 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 2.5036 -0.1437 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 1.8102 -0.2108 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1973 1.6663 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 1.0648 1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 0.3018 2.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7395 1.2626 0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 0.6524 1.0593 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4779 1.7546 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 1.6175 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 0.2390 0.6269 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3561 0.2618 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 0.3265 0.2229 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0327 1.7080 -0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 2.5145 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 2.0273 1.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 3.9139 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 4.4196 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 5.7509 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 6.5041 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 5.9786 0.4917 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 4.6808 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -0.5908 -0.7338 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8217 -0.5604 -0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8031 0.0267 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2163 -0.0425 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 0.6167 -2.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 -1.9590 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 -2.2911 -2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4628 -1.6465 -3.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -3.3741 -2.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -4.0922 -3.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -3.5108 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 -3.1901 0.1375 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3152 -2.0663 0.7964 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0653 -2.4785 0.7386 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7755 -2.8021 1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -3.2335 1.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.7150 2.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 -0.7425 0.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0376 -0.1560 -0.0832 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5452 0.2259 -1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 -0.9431 -0.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -3.0836 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 -4.4064 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 -2.9196 1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9388 0.5450 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4919 -0.6704 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8491 -1.8582 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 -1.8085 -2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1574 -0.5953 -2.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 0.5652 -2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9894 3.7384 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4869 4.4947 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 4.1946 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5576 1.9015 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 2.4205 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 1.0330 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3021 2.6455 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 0.0509 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 2.7435 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1861 1.8730 2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 1.6502 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 2.4113 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 1.2844 2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -0.1028 2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 -0.4002 2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 0.2336 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 3.8346 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1304 6.1396 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7411 7.5404 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5699 4.2448 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 -0.0528 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2747 -0.8881 0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9299 -0.2314 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4756 0.8983 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2899 -2.3569 -4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 -1.7241 -3.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 -0.7082 -3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 -4.5845 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.9271 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -4.0994 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 -2.0507 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 -2.8057 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -2.8507 2.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -4.3276 1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5783 -1.0226 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 1.0816 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 0.0765 -2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 -4.2423 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7215 -4.9476 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 -5.1233 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -2.0670 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 -2.8426 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 -3.8099 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -0.7998 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 -2.7941 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -2.7291 -2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 -0.5475 -3.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 1.5308 -2.3365 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 1 11 40 1 0 40 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 2 0 35 34 1 0 34 33 1 0 33 31 1 0 31 32 2 0 31 29 1 0 29 30 1 0 29 28 2 0 28 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 23 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 28 44 1 0 44 45 1 0 44 46 1 0 40 41 1 0 41 42 1 0 42 43 1 0 3 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 41 8 1 0 41 43 1 1 52 47 1 0 13 11 1 0 22 17 1 0 44 34 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 3 57 1 6 4 58 1 0 4 59 1 0 8 60 1 1 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 12 65 1 0 12 66 1 0 12 67 1 0 40 87 1 6 35 83 1 1 38 84 1 0 38 85 1 0 38 86 1 0 34 82 1 1 33 80 1 0 33 81 1 0 30 77 1 0 30 78 1 0 30 79 1 0 23 73 1 6 26 74 1 0 26 75 1 0 26 76 1 0 13 68 1 1 18 69 1 0 19 70 1 0 20 71 1 0 22 72 1 0 45 90 1 0 45 91 1 0 45 92 1 0 46 93 1 0 46 94 1 0 46 95 1 0 42 88 1 0 42 89 1 0 48 96 1 0 49 97 1 0 50 98 1 0 51 99 1 0 52100 1 0 M END