RDKit 3D 110112 0 0 0 0 0 0 0 0999 V2000 -12.9090 -0.0456 2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1288 0.2746 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9175 1.2236 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9904 0.8636 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5241 0.7174 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9608 2.0062 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5992 1.9970 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4459 1.5718 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3615 0.1543 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0855 -0.0275 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8441 0.3191 -0.4651 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7508 -0.5020 0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -0.0920 -1.3507 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5125 0.8186 -2.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 0.4181 -2.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 0.0783 -1.6558 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8255 -1.2669 -1.6103 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7946 -2.2629 -1.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 -1.5195 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 -0.5154 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.5538 -0.8484 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4649 -1.8272 -0.8935 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 0.4940 -0.6402 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9766 0.3008 -1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 -0.6268 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -0.6411 0.3458 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7107 -0.3537 1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8755 -1.2363 1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 -1.3573 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 -0.0699 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 -0.2460 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5989 -1.2029 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7017 -1.0770 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3594 -1.2383 1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5724 -1.0509 2.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 0.3395 2.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6202 1.4045 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5108 2.5423 1.9282 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1190 3.0030 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 2.0341 2.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3183 0.7013 2.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 -0.0912 3.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6423 0.2948 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 0.1121 -0.6848 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2587 -0.2402 3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4557 -1.0343 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1497 0.7159 2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8752 0.7341 2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6658 -0.6627 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6807 2.2559 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9296 1.4107 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3500 -0.0702 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0299 1.6605 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0596 0.5728 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2521 -0.1504 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9989 2.7898 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6334 2.4758 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3678 3.0479 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5424 1.3738 1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 1.8514 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3787 2.2465 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2097 -0.5363 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1504 -0.2655 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 -1.0521 -1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1041 0.6743 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7089 1.3664 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 -0.6929 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8204 -1.1394 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 0.6164 -3.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 1.8641 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2098 -0.4757 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 1.2733 -3.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 0.9050 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 -1.3776 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -2.3383 -2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 -2.5798 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 -1.3900 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -0.8253 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 0.4785 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 -0.3673 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 -2.4710 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 1.5146 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -0.1882 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 1.2630 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -1.6620 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -0.3078 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -1.6546 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 -0.3509 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 0.7267 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -0.8673 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 -2.2816 1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 -2.0570 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -1.8168 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 0.4905 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 0.6376 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 -0.4356 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 0.7935 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 -1.2309 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1134 -2.2507 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2877 -0.1683 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 -1.9044 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5972 -0.5806 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0565 -2.3209 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3727 -1.7260 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2907 -1.3592 3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7001 1.4444 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 3.3832 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1196 3.3986 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4887 3.7753 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2484 2.1009 -0.0199 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 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 44 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 26 43 1 0 44 13 1 0 43 23 1 0 41 36 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 1 12 67 1 0 13 68 1 6 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 1 17 74 1 6 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 6 22 81 1 0 23 82 1 1 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 1 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 37106 1 0 38107 1 1 39108 1 0 39109 1 0 39110 1 0 M END