HMDB0015350 RDKit 3D Dantrolene 33 35 0 0 0 0 0 0 0 0999 V2000 -7.3646 0.4074 0.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3041 -0.2869 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0097 0.1828 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -0.7645 0.4793 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 -0.5057 0.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 0.5005 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 0.8175 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 1.8855 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.8226 -1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2854 0.7324 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 0.3179 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 1.0217 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 0.6594 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 -0.4450 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 -0.8406 0.9024 N 0 0 0 0 0 4 0 0 0 0 0 0 7.6056 -0.1940 0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 -1.9387 1.6860 O 0 0 0 0 0 1 0 0 0 0 0 0 4.1964 -1.1487 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 -0.7866 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 0.1777 -0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 -1.9531 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2713 -3.0953 -0.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1572 -1.6625 0.1542 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 1.1754 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 0.2506 2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 1.1232 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 2.6328 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 2.5014 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 1.8938 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 1.2109 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 -2.0276 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0366 -1.3401 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9528 -2.3243 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 2 0 10 20 1 0 4 21 1 0 21 22 2 0 21 23 1 0 23 2 1 0 20 7 1 0 19 11 1 0 3 24 1 0 3 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 13 30 1 0 18 31 1 0 19 32 1 0 23 33 1 0 M CHG 2 15 1 17 -1 M END