RDKit 3D 108111 0 0 0 0 0 0 0 0999 V2000 12.8910 1.3598 -1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3085 2.5494 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9956 2.0615 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 1.6003 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 1.0992 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 -0.0583 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 -0.6473 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 0.2383 1.7070 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2743 1.3794 0.9955 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 -0.6646 2.2392 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2628 -1.7267 2.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8635 -1.1553 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -2.3682 0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.3005 0.3857 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -0.7513 -0.7951 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7496 -0.7075 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4405 0.0760 0.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.4865 -1.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 -2.4680 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -3.6785 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -3.1337 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 -1.6605 -1.0353 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4172 -0.7755 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 0.3503 0.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -1.0938 0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 -0.2255 0.9108 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6636 -0.6537 2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 -2.0129 2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 -3.0504 2.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -4.3536 2.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -4.6787 2.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 -6.0143 3.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 -3.6480 2.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 -2.3411 2.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 0.0182 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -0.5425 -0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8675 0.8761 0.9513 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1939 1.1230 0.3908 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2922 2.5511 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6401 2.7804 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7672 3.2877 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8290 3.3206 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1442 3.7216 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9955 3.6385 -1.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5052 3.1416 -3.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1739 2.7367 -3.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3283 2.8247 -2.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0356 2.5079 -1.9413 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1791 0.9285 1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7262 0.7094 2.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5603 0.9612 1.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5785 0.2362 -1.8636 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0619 -0.1017 -3.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 1.5347 -1.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5885 1.3598 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0021 1.4711 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6386 0.4023 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9805 2.9181 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0541 3.3491 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5507 2.8814 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2690 1.1750 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0479 2.3653 -1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6496 0.7069 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1211 0.8577 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3141 1.9606 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6019 0.2625 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -0.8588 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9056 -1.5846 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 -1.0060 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 0.6636 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 1.2433 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 1.9656 1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0262 -0.0826 2.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -2.0697 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 0.6737 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 -1.7319 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -2.6916 -2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -2.0742 -3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -4.1132 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 -4.4027 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 -3.5180 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 -3.3324 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9727 -1.6589 -2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 -2.0305 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 0.7748 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 0.0397 2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6789 -0.5251 2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 -2.8423 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -5.1898 2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4155 -6.3247 4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9618 -3.9052 3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2375 -1.5600 2.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6262 1.3535 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3648 0.4961 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1983 3.1902 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5036 2.8022 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8515 3.6296 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5002 4.1065 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0350 3.9461 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1791 3.0776 -3.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8389 2.3543 -4.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3763 2.1089 -2.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9520 0.2689 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6992 0.2017 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -1.1208 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 0.6064 -3.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.0458 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 2.0514 -1.1738 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 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 2 0 26 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 38 49 1 0 49 50 2 0 49 51 1 0 15 52 1 0 52 53 1 0 52 54 1 0 22 18 1 0 34 28 1 0 48 40 1 0 47 42 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 1 9 71 1 0 9 72 1 0 10 73 1 1 11 74 1 0 14 75 1 0 15 76 1 6 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 6 25 84 1 0 26 85 1 1 27 86 1 0 27 87 1 0 29 88 1 0 30 89 1 0 32 90 1 0 33 91 1 0 34 92 1 0 37 93 1 0 38 94 1 6 39 95 1 0 39 96 1 0 41 97 1 0 43 98 1 0 44 99 1 0 45100 1 0 46101 1 0 48102 1 0 51103 1 0 52104 1 6 53105 1 0 53106 1 0 53107 1 0 54108 1 0 M END