RDKit 3D 99103 0 0 0 0 0 0 0 0999 V2000 3.7018 0.7430 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 0.1139 -2.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -0.5868 -2.7632 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.3303 -2.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -0.2084 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 0.0429 0.2778 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9367 1.4997 0.5723 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3377 1.9199 1.8462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 2.6744 2.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 3.0058 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 3.0371 1.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8022 2.3104 -0.0016 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1434 3.0754 0.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 4.4308 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 5.0357 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 5.0977 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1313 1.5468 -0.9058 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3127 2.1659 -1.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5421 1.8629 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 1.5418 -2.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8364 1.8225 -0.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8405 2.9782 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 0.5991 -0.2909 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5698 0.9134 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4433 -0.6096 -1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9235 -0.2756 -2.3959 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 -1.1715 -3.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 -2.5215 -3.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 -2.8578 -1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -1.9054 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7313 -2.5335 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 -3.3021 0.8875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -2.4144 0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -3.0422 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -2.4508 1.2809 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2089 -3.0314 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2123 -1.1547 1.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -0.6337 0.1138 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9241 -1.8155 -0.7241 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0274 -2.2122 -1.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -2.5900 -2.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 -3.0146 -3.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -2.5635 -3.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -2.7927 0.4374 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4407 -2.3022 1.0960 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6758 -2.9511 2.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -0.8299 1.3921 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0238 -0.6593 1.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 -0.3545 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 -0.1638 2.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9043 -0.2292 3.7078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 0.2710 -0.1871 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9926 0.8220 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -0.4166 -0.9438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 1.8351 -4.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 0.2868 -4.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 0.4662 -4.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 0.4295 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 -1.1733 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 1.9554 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 2.4502 4.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6983 2.6984 3.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 4.1124 3.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 3.1470 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 6.0369 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 5.0988 3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 4.3258 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 1.3897 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7021 2.0891 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 3.6445 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8043 3.5127 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 2.5635 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 0.2801 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2464 0.0340 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0877 1.7291 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3521 1.2667 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 -0.9055 -4.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2776 -3.2738 -3.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4648 -3.9346 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -3.4715 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -4.0695 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -4.0442 2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6871 -2.3290 3.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 -3.1954 3.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8826 -1.8662 -1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6901 -3.5195 -3.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 -3.6889 -4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.1459 -4.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -3.8141 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -2.7064 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 -2.9305 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 -0.6132 2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5397 -0.9508 3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -0.0911 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2273 0.7991 3.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 0.9473 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -0.0308 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 1.6527 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.2427 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 24 23 1 0 23 21 1 0 21 22 1 0 21 19 1 0 19 20 2 0 19 18 1 0 18 17 1 0 17 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 12 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 7 6 1 0 6 5 1 6 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 6 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 45 1 0 45 46 1 0 45 44 1 0 44 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 2 0 39 38 1 0 38 37 1 1 37 35 1 0 35 36 1 1 35 34 1 0 34 33 1 0 33 31 1 0 31 32 2 0 31 30 1 0 30 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 38 52 1 0 52 53 1 0 52 54 1 6 25 23 1 0 52 17 1 0 38 6 1 0 29 30 1 0 35 44 1 0 24 74 1 0 24 75 1 0 24 76 1 0 23 73 1 1 21 69 1 6 22 70 1 0 22 71 1 0 22 72 1 0 17 68 1 6 12 64 1 6 15 65 1 0 15 66 1 0 15 67 1 0 7 60 1 6 10 61 1 0 10 62 1 0 10 63 1 0 5 58 1 0 5 59 1 0 1 55 1 0 1 56 1 0 1 57 1 0 47 92 1 1 50 93 1 0 50 94 1 0 50 95 1 0 45 90 1 6 46 91 1 0 44 89 1 6 39 85 1 6 42 86 1 0 42 87 1 0 42 88 1 0 36 82 1 0 36 83 1 0 36 84 1 0 34 80 1 0 34 81 1 0 27 77 1 0 28 78 1 0 29 79 1 0 53 96 1 0 53 97 1 0 53 98 1 0 54 99 1 0 M END