HMDB0036161 RDKit 3D 4-Propanoyl-HT2 toxin 70 73 0 0 0 0 0 0 0 0999 V2000 -1.9826 4.7938 -1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.7611 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 2.7814 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 2.9233 -0.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 1.7010 0.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 0.7552 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3521 0.6919 2.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 1.4790 3.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.7992 2.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 -1.0575 2.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 -1.9325 1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 -2.4508 1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 -1.9252 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 -2.4491 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -0.7648 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 0.1595 0.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 0.4743 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -0.0775 -1.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 1.4263 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 2.7927 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5421 3.6648 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 2.6735 -2.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -0.1191 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -1.1548 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -2.1256 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 -3.2050 -0.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 -4.1794 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 -5.3467 -1.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 -4.0698 -2.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2912 -0.6540 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 -0.8434 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 -1.4175 1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8881 -2.3331 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3324 -1.0101 1.8294 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 4.5066 -1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 5.7711 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 4.9405 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 4.2463 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 3.2135 -1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5101 1.0412 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3196 0.9565 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 2.1353 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -1.0706 3.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -2.7879 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -3.3081 2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 -2.5176 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -3.4751 1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -1.8077 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 -1.0893 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 0.9592 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 1.5035 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 3.2061 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 4.2884 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 4.3990 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 3.1075 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 2.1497 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 2.0811 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 3.7204 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 0.5473 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0379 0.4483 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -1.6447 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -2.5138 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -5.0744 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -6.1947 -0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 -5.6542 -2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0559 -0.1533 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 -0.4600 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -1.8429 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -2.8978 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 -2.8924 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 15 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 24 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 30 6 1 0 34 32 1 0 32 9 1 0 24 11 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 11 44 1 0 12 45 1 0 14 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 23 60 1 0 25 61 1 0 25 62 1 0 28 63 1 0 28 64 1 0 28 65 1 0 31 66 1 0 31 67 1 0 31 68 1 0 33 69 1 0 33 70 1 0 M END