@MOLECULE 2-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl methanesulfonate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.9541 -1.6609 -0.5385 Cl 1 UNL1111111111 -0.1408 2 S 3.7217 -0.8258 0.1291 S.O2 1 UNL1111111111 2.3793 3 O 2.6744 0.4680 -0.0007 O.3 1 UNL1111111111 -0.7454 4 O -1.2796 1.0923 -1.7374 O.2 1 UNL1111111111 -0.5223 5 O 4.9160 -0.4691 -0.5892 O.2 1 UNL1111111111 -0.8947 6 O 2.9733 -1.9965 -0.2398 O.2 1 UNL1111111111 -0.8917 7 O -2.6644 0.8462 2.4903 O.2 1 UNL1111111111 -0.2126 8 N 0.1551 1.7415 -0.0787 N.am 1 UNL1111111111 -0.5477 9 N -2.0382 0.9113 0.4171 N.am 1 UNL1111111111 -0.4474 10 N -1.7934 1.1070 1.7242 N.2 1 UNL1111111111 0.2024 11 C 1.2344 1.9902 -1.0357 C.3 1 UNL1111111111 -0.0787 12 C 2.0887 0.7295 -1.2605 C.3 1 UNL1111111111 0.0181 13 C -3.3277 0.4136 -0.1038 C.3 1 UNL1111111111 -0.1170 14 C -1.0234 1.2293 -0.5583 C.2 1 UNL1111111111 0.7070 15 C -3.3362 -1.1131 -0.0537 C.3 1 UNL1111111111 -0.2014 16 C 3.9988 -0.7738 1.8648 C.3 1 UNL1111111111 -0.7444 17 H 0.8086 2.3367 -2.0092 H 1 UNL1111111111 0.1710 18 H 1.8666 2.8153 -0.6297 H 1 UNL1111111111 0.1595 19 H 1.4703 -0.1396 -1.5640 H 1 UNL1111111111 0.1507 20 H 2.8836 0.9190 -2.0094 H 1 UNL1111111111 0.1355 21 H 0.4079 1.6797 0.8991 H 1 UNL1111111111 0.3352 22 H -4.1566 0.8523 0.5019 H 1 UNL1111111111 0.1727 23 H -3.4709 0.7814 -1.1526 H 1 UNL1111111111 0.1909 24 H -2.6199 -1.5658 -0.7589 H 1 UNL1111111111 0.1690 25 H -3.1520 -1.5048 0.9596 H 1 UNL1111111111 0.1642 26 H 4.6828 -1.5708 2.1939 H 1 UNL1111111111 0.1957 27 H 4.4513 0.1740 2.1909 H 1 UNL1111111111 0.1947 28 H 3.0700 -0.9033 2.4406 H 1 UNL1111111111 0.1981 @BOND 1 1 15 1 2 2 3 1 3 2 5 2 4 2 6 2 5 2 16 1 6 3 12 1 7 4 14 2 8 7 10 2 9 8 11 1 10 8 14 am 11 8 21 1 12 9 10 1 13 9 13 1 14 9 14 am 15 11 12 1 16 11 17 1 17 11 18 1 18 12 19 1 19 12 20 1 20 13 15 1 21 13 22 1 22 13 23 1 23 15 24 1 24 15 25 1 25 16 26 1 26 16 27 1 27 16 28 1