@MOLECULE 2-[hydroxy(nitroso)amino]-1-propanol 16 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1757 -0.3629 1.0884 O.3 1 UNL1 -0.5299 2 O 0.9121 -1.4231 -0.6153 O.3 1 UNL1 -0.3531 3 O 2.6148 0.2310 0.4570 O.2 1 UNL1 -0.2313 4 N 0.5359 -0.2036 -0.0165 N.4 1 UNL1 -0.2056 5 N 1.4946 0.6319 0.3740 N.2 1 UNL1 0.1846 6 C -0.6774 0.2678 -0.7396 C.3 1 UNL1 0.0516 7 C -1.8592 -0.6131 -0.2610 C.3 1 UNL1 -0.0233 8 C -0.9553 1.7405 -0.4532 C.3 1 UNL1 -0.4566 9 H -0.5205 0.1079 -1.8419 H 1 UNL1 0.1552 10 H -2.7910 -0.3594 -0.7990 H 1 UNL1 0.1470 11 H -1.6380 -1.6900 -0.3822 H 1 UNL1 0.1354 12 H -0.1390 2.3929 -0.7879 H 1 UNL1 0.1621 13 H -1.1009 1.9247 0.6225 H 1 UNL1 0.1757 14 H -1.8739 2.0675 -0.9569 H 1 UNL1 0.1604 15 H -1.3556 -0.3919 1.6278 H 1 UNL1 0.3216 16 H 1.3653 -1.9459 0.1088 H 1 UNL1 0.3064 @BOND 1 9 6 1 2 14 8 1 3 10 7 1 4 12 8 1 5 6 8 1 6 6 7 1 7 6 4 1 8 2 4 1 9 2 16 1 10 8 13 1 11 11 7 1 12 7 1 1 13 4 5 1 14 5 3 2 15 1 15 1