RDKit 3D 88 91 0 0 0 0 0 0 0 0999 V2000 -4.4420 4.8220 2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 3.8483 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 4.1227 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0912 2.6841 0.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4108 1.7374 -0.1283 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2503 1.7999 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 0.5787 -1.8863 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6808 0.0459 -2.1445 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2687 0.5646 -3.4455 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 0.1389 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -0.5547 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 -0.6478 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.1197 0.8789 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1877 -3.0559 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -2.1483 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9456 -2.3423 2.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -1.9757 0.5779 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3887 -3.1157 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2844 -0.7122 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 0.4177 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 0.2959 1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -0.4974 -1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 0.0483 -2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -1.7109 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 -2.4366 1.8877 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3030 -3.8196 2.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -1.8042 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 -1.3026 0.0523 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0692 -0.3391 -0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 -0.5178 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 -1.6116 -1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 0.4407 -0.9746 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2036 -0.0789 -1.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 0.5767 0.3489 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0824 1.5757 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3286 2.3876 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 3.3052 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1832 3.4368 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9489 2.6347 1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 1.7215 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4903 -0.6333 0.8769 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4807 -1.3103 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -1.4561 1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 4.3426 3.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3888 5.2449 2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 5.6774 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2835 2.2007 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 2.7451 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3369 2.0152 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 0.9121 -2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -1.0147 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 0.1157 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 0.8129 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 -0.0259 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -0.1808 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -3.7147 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 -3.8367 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -2.6776 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 -1.9745 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3431 -3.1961 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -0.0482 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8249 1.2658 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 -0.4170 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1958 0.1279 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 0.9965 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9064 -0.6037 -2.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8745 -2.2395 -2.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 -2.4703 -2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 -1.3749 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -2.0383 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 -4.0661 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -0.9382 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 -2.5968 1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -2.1246 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 1.3832 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7464 -0.6683 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 0.9826 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 2.2749 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 3.9384 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 4.1726 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6005 2.7409 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 1.1133 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 -1.9211 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9324 -2.0982 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3169 -0.7064 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -1.9424 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7863 -0.9154 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1111 -2.2649 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 42 41 1 0 41 43 1 0 41 34 1 0 34 32 1 0 32 33 1 0 32 30 1 0 30 31 2 0 30 29 1 0 29 28 1 0 28 27 1 0 27 25 1 0 25 26 1 0 25 13 1 0 13 14 1 6 13 12 1 0 12 11 1 0 11 10 2 0 10 8 1 0 8 9 1 0 8 7 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 20 1 0 20 21 1 0 20 19 2 0 19 17 1 0 17 18 1 0 17 15 1 0 15 16 2 0 19 22 1 0 22 23 1 0 22 24 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 11 28 1 0 22 7 1 0 40 35 1 0 15 13 1 0 42 83 1 0 42 84 1 0 42 85 1 0 43 86 1 0 43 87 1 0 43 88 1 0 34 77 1 1 32 75 1 6 33 76 1 0 28 74 1 6 27 72 1 0 27 73 1 0 25 70 1 1 26 71 1 0 14 56 1 0 14 57 1 0 14 58 1 0 12 54 1 0 12 55 1 0 10 53 1 0 8 51 1 6 9 52 1 0 7 50 1 6 6 48 1 0 6 49 1 0 5 47 1 6 1 44 1 0 1 45 1 0 1 46 1 0 21 61 1 0 21 62 1 0 21 63 1 0 17 59 1 1 18 60 1 0 23 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 24 69 1 0 36 78 1 0 37 79 1 0 38 80 1 0 39 81 1 0 40 82 1 0 M END