RDKit 3D 90 94 0 0 0 0 0 0 0 0999 V2000 0.2036 5.2248 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 3.9326 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 3.8937 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 2.7324 -0.0988 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5407 2.6334 -0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 1.5925 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.8697 1.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 0.2122 -0.1446 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9101 -0.2354 -0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 -1.2802 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6301 -1.9732 1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7802 -1.6416 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7369 -0.7743 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 -1.0883 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -2.3042 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5569 -3.2092 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2152 -2.8584 1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -0.0690 -1.5142 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2675 1.0425 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -0.3877 -1.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -1.1505 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -0.9405 -3.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -2.4408 -1.6359 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1528 -2.7702 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -3.5300 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 -4.5930 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 -3.9843 -1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -2.5623 -1.5673 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 -1.5630 -1.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2582 -1.8336 -2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 -0.1843 -0.9707 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8938 0.7711 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 1.5532 -0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 0.5363 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9499 -0.4546 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 -0.0944 0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 0.2988 1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 0.4625 2.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 0.5227 1.5293 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7477 -0.3649 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 0.3850 3.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 1.7976 3.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 1.8463 2.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 2.8654 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 4.0588 1.6436 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 5.0905 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 5.8026 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 5.8830 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1824 3.7331 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 4.9056 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 3.1724 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 3.4457 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 1.8835 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 3.5308 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9719 -0.4525 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 0.3196 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 0.1897 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 -0.3565 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5407 -2.5368 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8905 -4.1707 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4481 -3.5278 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 -0.9690 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.6012 -2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 0.6027 -3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.7667 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 -3.2096 -2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 -1.8546 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -3.3644 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -2.8637 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7336 -4.0380 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -5.4506 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -4.9780 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 -4.1193 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -4.5178 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 0.2340 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 1.3740 -2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 0.1249 -2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 1.9623 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 2.3953 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 1.0167 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1993 -0.0377 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -1.4800 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 -0.4150 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8936 0.3117 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -1.3578 2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 -0.4128 2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.2828 4.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 -0.0933 4.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 2.4388 4.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 2.1945 3.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 8 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 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 2 0 29 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 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 4 1 0 17 12 1 0 28 23 1 0 36 31 1 0 43 39 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 3 52 1 0 4 53 1 6 5 54 1 0 8 55 1 1 9 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 16 60 1 0 17 61 1 0 18 62 1 6 19 63 1 0 19 64 1 0 19 65 1 0 23 66 1 6 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 27 73 1 0 27 74 1 0 31 75 1 1 32 76 1 0 32 77 1 0 33 78 1 0 33 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 39 84 1 6 40 85 1 0 40 86 1 0 41 87 1 0 41 88 1 0 42 89 1 0 42 90 1 0 M END