HMDB0001341 RDKit 3D ADP 42 44 0 0 0 0 0 0 0 0999 V2000 -5.6045 -2.0955 -2.2369 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8347 -1.7052 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 -2.3484 0.0572 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -1.9436 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 -0.9019 1.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 -0.2159 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9648 -0.6368 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 0.2036 -2.2205 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 1.0859 -1.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 0.8398 -0.4946 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 1.5447 0.3290 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2175 1.4692 -0.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 1.7928 0.8896 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7706 0.7869 0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 0.7604 -0.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.3670 -0.0484 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4699 -1.3635 1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1937 0.4625 0.3102 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 -1.2103 -1.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 -1.8749 -1.6140 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0278 -2.3997 -0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 -3.1548 -2.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -0.6749 -2.2457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 1.6953 2.1888 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6193 2.9556 2.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 0.9242 1.7058 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4674 1.1428 2.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6245 -1.9472 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1474 -2.5279 -3.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 -2.5092 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 1.8799 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 2.6150 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 2.7893 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 1.0993 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -0.2115 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 1.3727 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -3.1557 -3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8825 -0.0817 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 1.1718 2.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0979 3.6005 2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 -0.1466 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 1.2799 3.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 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 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 13 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 7 2 1 0 26 11 1 0 10 6 1 0 1 28 1 0 1 29 1 0 4 30 1 0 9 31 1 0 11 32 1 1 13 33 1 6 14 34 1 0 14 35 1 0 18 36 1 0 22 37 1 0 23 38 1 0 24 39 1 1 25 40 1 0 26 41 1 6 27 42 1 0 M END