HMDB0036742 RDKit 3D Eucaglobulin 65 67 0 0 0 0 0 0 0 0999 V2000 7.5558 1.0766 1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 0.6028 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6398 0.2557 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7271 1.6064 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 -0.6177 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 -1.1382 -0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 -0.7785 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -0.7350 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 -0.3886 -1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.1259 -2.4038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 -0.3168 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 0.0326 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 0.0332 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 0.3670 -0.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -0.3624 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 0.1543 -0.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 0.5971 0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0097 0.5357 2.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7214 1.1292 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1841 1.2179 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4288 1.7119 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8802 1.7941 -2.3464 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2456 2.1392 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5076 2.6465 -0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7968 2.0567 1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6428 2.4949 2.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5434 1.5548 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -1.7892 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -1.8485 -1.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -2.3035 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -3.1829 -0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 -1.1993 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 -1.6457 1.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -1.0457 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 -0.2554 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 1.2919 1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9826 2.0314 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 0.3639 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4473 0.9672 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9869 -0.7638 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5656 0.3081 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 2.2118 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9672 -1.3906 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -2.2564 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 -0.8263 -1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6616 -0.5535 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.0293 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2059 -0.7032 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 0.8906 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 -0.3357 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5262 0.8768 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2399 1.4683 -3.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8442 2.7101 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5546 2.8613 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1776 1.4850 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -2.4452 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6327 -0.9444 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -2.9319 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -3.8531 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -0.9356 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6242 -2.3526 0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -0.7457 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 -2.1298 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.4353 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 0.8341 1.0899 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 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 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 15 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 8 34 1 0 34 35 1 0 35 5 1 0 32 13 1 0 27 19 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 15 50 1 0 20 51 1 0 22 52 1 0 24 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 31 59 1 0 32 60 1 0 33 61 1 0 34 62 1 0 34 63 1 0 35 64 1 0 35 65 1 0 M END