@MOLECULE (2s)-3-azido-1,2-propanediol 15 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9920 1.4789 -0.1990 O.3 1 UNL1 -0.5626 2 O 3.2412 -0.5224 0.4625 O.3 1 UNL1 -0.5348 3 N -1.4382 0.1091 0.3481 N.2 1 UNL1 -0.4646 4 N -2.6277 -0.1385 0.0871 N.2 1 UNL1 0.4265 5 N -3.7606 -0.2088 0.0199 N.2 1 UNL1 -0.2061 6 C 0.9379 0.1150 0.1608 C.3 1 UNL1 0.1182 7 C -0.3535 -0.5225 -0.4140 C.3 1 UNL1 -0.1552 8 C 2.1943 -0.5004 -0.4800 C.3 1 UNL1 -0.0297 9 H 0.9667 0.0360 1.2728 H 1 UNL1 0.1541 10 H -0.3358 -1.6255 -0.2753 H 1 UNL1 0.1504 11 H -0.4254 -0.3098 -1.5040 H 1 UNL1 0.1551 12 H 2.5070 0.0722 -1.3745 H 1 UNL1 0.1434 13 H 2.0674 -1.5661 -0.7395 H 1 UNL1 0.1447 14 H 0.1904 1.9465 0.1242 H 1 UNL1 0.3377 15 H 3.4823 0.3927 0.7232 H 1 UNL1 0.3228 @BOND 1 11 7 1 2 12 8 1 3 13 8 1 4 8 6 1 5 8 2 1 6 7 10 1 7 7 6 1 8 7 3 1 9 1 14 1 10 1 6 1 11 5 4 2 12 4 3 2 13 6 9 1 14 2 15 1