HMDB0061435 RDKit 3D PC(MonoMe(11,3)/DiMe(11,3)) 142143 0 0 0 0 0 0 0 0999 V2000 7.5456 0.1095 3.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 -0.4765 4.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -0.1384 5.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -0.7149 6.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9751 -0.6509 7.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7878 -1.3451 7.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -1.5192 8.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -1.8163 6.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6498 -2.6102 5.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -1.8351 5.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -2.8505 4.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -2.2265 4.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0482 -3.1012 3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -4.3883 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 -5.4589 4.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -6.0090 2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1182 -6.9658 2.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 -6.1854 2.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -5.3731 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -5.5331 0.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4438 1.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 -3.8397 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 -2.8732 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -1.5536 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 -1.4950 1.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 0.1736 1.8623 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5372 0.3432 3.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 1.0501 1.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 0.8105 1.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9361 1.7770 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 2.3276 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 3.3219 -1.1421 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0574 2.7641 -2.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2457 4.2741 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 4.1234 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -2.5066 -1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -2.6970 -2.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -3.1694 -2.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -2.2774 -4.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 -0.7519 -4.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 -0.3398 -5.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 1.1707 -5.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.6350 -4.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 0.9823 -4.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 1.2269 -5.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 2.7099 -5.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3721 3.0225 -6.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 2.2702 -6.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4263 2.5342 -5.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4882 1.6866 -4.6212 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2214 2.2123 -3.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5437 1.5664 -2.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6959 2.1789 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 1.5126 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6646 3.4539 -4.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5132 4.3830 -3.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1406 3.6557 -5.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 4.8875 -6.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -1.4045 5.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 -0.3794 4.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5666 1.1821 4.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -0.0700 2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 -1.5793 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 -0.1054 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 -0.5015 6.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8935 0.9623 5.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 -0.1531 8.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 -2.5578 8.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -1.3490 9.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -0.7578 8.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -3.1287 4.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -3.4125 6.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 -1.1334 4.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 -1.4458 6.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 -3.5803 5.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 -3.3155 3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 -1.6170 5.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -1.4117 3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7988 -3.2562 2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -2.5481 3.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -4.1902 5.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -4.7752 4.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -5.4046 4.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -6.3651 4.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 -5.1549 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1996 -6.5941 2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1265 -7.6264 3.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1804 -7.6129 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -5.6606 3.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -6.9657 2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 -3.2936 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 -4.6540 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 -3.3075 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9635 -1.0047 -0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -0.9358 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5142 0.6384 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 1.3517 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 2.5804 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 2.7326 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 1.4542 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 2.2338 -2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9291 2.1294 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 3.6218 -3.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 3.7887 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 4.9932 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 4.8600 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 4.4117 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0295 5.0798 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 3.6196 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -2.6041 -5.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -2.7084 -4.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 -0.4460 -3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7862 -0.2965 -4.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -0.6713 -6.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 -0.8171 -5.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 1.4752 -6.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 1.6089 -5.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 1.4381 -3.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 2.7441 -4.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 1.4173 -3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -0.1073 -4.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 0.7119 -5.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7483 0.8286 -6.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9121 3.0790 -4.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4979 3.2320 -6.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 2.7473 -7.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 4.0981 -6.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 1.1945 -6.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 2.5885 -7.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3295 0.4784 -2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 1.7118 -2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 1.9927 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8371 3.2475 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1035 1.2687 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7194 2.1695 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 0.5696 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8713 4.8903 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9636 5.1620 -3.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2828 3.8145 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9919 4.7322 -7.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4768 5.0506 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 5.7928 -5.6766 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 2 0 5 6 1 0 6 7 1 0 6 8 2 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 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 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 51 52 1 0 52 53 1 0 53 54 1 0 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 8 59 1 0 59 4 1 0 57 49 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 33101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 35109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 56137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 1 32 1 M END