RDKit 3D 99104 0 0 0 0 0 0 0 0999 V2000 7.8926 1.4330 -2.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 1.6241 -1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 2.1666 -0.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 1.2549 -1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 1.4812 -0.6362 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8253 2.6468 -0.8448 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8542 3.6069 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 2.3423 -1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 1.2408 -0.5954 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5865 1.4342 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1346 0.5184 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 0.8873 -1.0306 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3533 0.0276 -1.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 0.2266 -2.0817 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5789 -0.3929 -1.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6866 -0.8683 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3297 -0.5411 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 0.4176 1.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7135 1.1772 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 1.9814 2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8681 2.0192 3.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 2.8141 4.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 1.2844 3.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6846 1.2878 4.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 0.5041 2.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4862 -1.1343 0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1045 -2.0319 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2970 -2.5775 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9011 -3.5259 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1377 -4.0665 -0.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3665 -3.9608 -1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1221 -3.3966 -2.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -3.8580 -3.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4991 -2.4350 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3419 -1.8648 -1.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7843 -2.2249 -2.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 1.6863 -2.4706 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5511 1.7078 -3.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 2.5292 -2.5709 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1111 3.8673 -2.5604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 2.3550 -1.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2333 3.0845 -0.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.7020 0.5521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1177 -0.4730 0.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 0.2719 -0.1227 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8367 -0.3951 0.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 -1.6928 1.0221 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8945 -2.3313 0.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1248 -1.7033 0.4582 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1204 -2.3824 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7607 -2.1931 -1.8116 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 -1.9597 1.8744 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7634 -2.6499 1.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -2.7711 2.5446 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8290 -2.9685 3.8786 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -2.0140 2.4516 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1351 -0.9141 3.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 2.4213 -2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 1.1438 -3.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6948 0.6961 -2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 1.8755 0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 3.2253 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 3.7472 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 3.2123 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 4.6229 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 0.4208 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 0.5991 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -0.5238 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8848 0.7211 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 -0.2201 -3.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 1.1949 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 2.5643 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8727 2.8342 5.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1774 1.2600 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3786 -0.0829 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7192 -2.2627 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9913 -3.5880 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8125 -4.7190 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 -3.6043 -3.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 2.1360 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7202 0.8065 -4.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0845 2.3811 -3.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 3.8769 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 2.7600 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3882 4.0278 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 1.3717 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -1.0455 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 -0.4255 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2410 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1109 -0.6399 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -3.4860 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1407 -1.9872 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 -1.6798 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -0.9953 2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 -2.0628 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 -3.7222 2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4273 -2.2528 4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -2.7171 2.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -0.8961 3.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 35 36 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 14 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 9 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 49 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 45 5 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 5 6 1 0 41 12 1 0 56 47 1 0 35 16 1 0 25 18 1 0 34 27 1 0 7 63 1 0 7 64 1 0 7 65 1 0 6 62 1 6 9 66 1 6 11 67 1 0 11 68 1 0 12 69 1 1 14 70 1 6 28 76 1 0 30 77 1 0 31 78 1 0 33 79 1 0 19 71 1 0 20 72 1 0 22 73 1 0 24 74 1 0 25 75 1 0 37 80 1 1 38 81 1 0 39 82 1 6 40 83 1 0 41 84 1 6 42 85 1 0 43 86 1 1 44 87 1 0 45 88 1 6 47 89 1 6 49 90 1 6 50 91 1 0 50 92 1 0 51 93 1 0 52 94 1 1 53 95 1 0 54 96 1 6 55 97 1 0 56 98 1 1 57 99 1 0 5 61 1 1 1 58 1 0 1 59 1 0 1 60 1 0 M END