HMDB0033665 RDKit 3D N'-Hydroxyneosaxitoxin 40 42 0 0 0 0 0 0 0 0999 V2000 0.5790 3.0806 -1.0137 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 2.0887 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 1.7799 1.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 0.4301 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -0.6078 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -0.0509 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -0.9077 0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -0.5161 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 0.6181 -1.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.3446 -0.7945 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -0.9002 -1.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 -1.8464 0.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2405 -2.8346 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 -2.0485 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -3.2688 0.0653 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 -0.9039 -0.0731 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 -0.7645 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 0.5997 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 1.1149 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 2.4847 0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 0.6729 2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 0.3845 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 1.1203 -0.9142 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 3.2277 -2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7811 2.4046 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 0.3927 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 -0.8533 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 0.9039 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 0.2064 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 -2.2779 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 0.0366 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 -3.1473 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -3.4511 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -0.8002 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8425 -1.5839 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6801 1.3188 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6453 0.6160 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 2.8964 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 0.7508 2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 0.9795 -1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 5 12 1 0 12 13 1 0 12 14 1 0 14 15 2 3 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 2 1 0 22 4 1 0 22 16 1 0 1 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 20 38 1 0 21 39 1 0 23 40 1 0 M END