RDKit 3D 132137 0 0 0 0 0 0 0 0999 V2000 13.7244 -0.3630 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5744 0.2207 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3677 0.6541 1.1042 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1059 0.5417 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9989 0.0114 -0.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8498 1.0062 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9565 1.5387 2.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 0.8216 0.4824 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3391 1.1338 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 1.6621 1.9861 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1562 0.8953 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3435 0.4410 -1.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 0.2467 -2.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 0.5089 -1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 0.9620 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 1.1430 0.4765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 1.4605 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.9492 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.8114 1.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 2.8774 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 2.6514 0.2635 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 4.1349 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 4.3201 2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 5.1246 0.2868 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 5.3949 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 4.8735 -1.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8126 6.2264 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 6.7476 -2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7624 6.5071 -0.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6911 5.6444 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 5.7621 1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 4.5363 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 3.7349 -0.9107 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5444 2.8500 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 3.1082 -0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6832 4.1105 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8203 4.7312 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 1.8218 -2.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6829 1.6972 -3.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9732 0.9914 -2.0905 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 0.6844 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 0.6670 -0.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 0.3714 0.3098 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9263 0.3827 1.6643 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9741 0.0605 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 1.8414 1.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -0.9058 -0.0446 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 -1.1012 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 -1.5657 -1.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 -0.8092 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6383 -0.0467 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8043 -1.3611 1.7709 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -2.7130 2.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5332 -3.1772 3.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8351 -3.7565 1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4895 -3.6842 1.5902 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -4.8225 1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0454 -5.6355 0.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1458 -5.0299 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5212 -5.5739 1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 -5.1615 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 -6.4866 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -7.0336 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 -4.3014 0.7177 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -3.2273 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 -2.2180 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 -2.9921 -1.5445 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4267 -3.7923 -2.2485 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9596 -5.2064 -2.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -3.7090 -1.7719 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -3.2497 -2.2803 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -2.5709 -3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4388 -3.1302 -4.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 -1.2718 -3.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -0.3519 -4.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 0.8018 -3.9415 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8372 0.1006 -2.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -0.9652 -2.4022 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8386 0.4420 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7570 1.0876 2.5515 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9473 0.0847 0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9330 -0.5944 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7246 -0.6490 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4425 1.0982 2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0503 1.8806 2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 1.6769 2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7538 0.3749 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3078 0.2429 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3259 -0.0666 -3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -0.0346 1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 5.1744 2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 3.6133 3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 5.9685 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 7.3500 -2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 6.5634 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 7.5400 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6916 4.0647 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0594 5.6637 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 4.9157 1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 0.9665 -4.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 2.3535 -3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 0.6090 -2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 1.1944 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -0.2394 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 0.3567 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 -1.0512 2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 0.6390 2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 2.3190 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 2.4484 2.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7456 1.8685 2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5438 -1.7272 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5742 0.3442 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5074 0.2108 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9692 -0.6636 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 -6.3445 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9552 -5.9348 1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2027 -4.7465 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -7.2141 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -6.2667 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -7.6513 1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -7.7345 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -4.5546 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -1.8780 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4635 -3.3292 -3.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 -5.9432 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -5.4893 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -5.3484 -3.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 -4.2452 -2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -4.1662 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 -0.4140 -5.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5973 2.1271 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8503 0.5573 3.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 3 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 3 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 3 27 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 34 38 1 0 38 39 2 3 38 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 43 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 2 3 50 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 57 61 1 0 61 62 2 0 62 63 1 0 61 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 67 68 1 0 68 69 1 0 68 70 1 0 67 71 1 0 71 72 1 0 72 73 2 0 72 74 1 0 74 75 2 0 75 76 1 0 76 77 1 0 77 78 2 0 2 79 1 0 79 80 1 0 79 81 2 0 16 11 1 0 21 17 1 0 36 32 2 0 59 55 2 0 78 74 1 0 77 14 1 0 1 82 1 0 1 83 1 0 3 84 1 0 7 85 1 0 7 86 1 0 8 87 1 0 12 88 1 0 13 89 1 0 18 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 37 97 1 0 37 98 1 0 37 99 1 0 39100 1 0 39101 1 0 40102 1 0 43103 1 1 44104 1 6 45105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 46110 1 0 47111 1 0 51112 1 0 51113 1 0 52114 1 0 60115 1 0 60116 1 0 60117 1 0 62118 1 0 63119 1 0 63120 1 0 63121 1 0 64122 1 0 67123 1 1 68124 1 6 69125 1 0 69126 1 0 69127 1 0 70128 1 0 71129 1 0 75130 1 0 80131 1 0 80132 1 0 M END