@MOLECULE 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitro-1h-imidazol-1-yl)propyl]-1-nitrosourea 34 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -3.8551 2.0822 -0.3116 Cl 1 UNL1 -0.1566 2 O 0.8816 1.5979 1.0983 O.3 1 UNL1 -0.5522 3 O -3.4355 -0.4405 1.8703 O.2 1 UNL1 -0.4830 4 O 4.7084 -2.3066 0.0079 O.2 1 UNL1 -0.2851 5 O 2.6610 -1.8606 -0.5078 O.2 1 UNL1 -0.4548 6 O -2.4888 -3.0741 0.4251 O.2 1 UNL1 -0.2054 7 N 3.1371 0.8757 -0.4780 N.ar 1 UNL1 -0.1783 8 N -1.5122 0.2744 0.9188 N.am 1 UNL1 -0.5512 9 N -3.0523 -1.1181 -0.3171 N.am 1 UNL1 -0.4821 10 N 5.2112 0.4396 0.3193 N.ar 1 UNL1 -0.2683 11 N 3.8058 -1.5321 -0.2093 N.pl3 1 UNL1 0.6485 12 N -3.0159 -2.4558 -0.4400 N.2 1 UNL1 0.2253 13 C 0.8194 0.4727 0.2491 C.3 1 UNL1 0.1184 14 C 1.7735 0.7064 -0.9512 C.3 1 UNL1 -0.1588 15 C -0.6451 0.4411 -0.2452 C.3 1 UNL1 -0.0895 16 C 4.0561 -0.1173 -0.1183 C.ar 1 UNL1 0.0503 17 C 3.7497 2.0880 -0.2369 C.ar 1 UNL1 -0.1098 18 C -2.7005 -0.4030 0.9102 C.2 1 UNL1 0.6834 19 C 5.0394 1.7967 0.2536 C.ar 1 UNL1 -0.0742 20 C -3.8345 -0.3961 -1.3412 C.3 1 UNL1 -0.0681 21 C -4.7847 0.6229 -0.7284 C.3 1 UNL1 -0.2169 22 H 1.6829 1.5664 1.6624 H 1 UNL1 0.3306 23 H -1.2788 0.8468 1.7314 H 1 UNL1 0.3473 24 H 1.0852 -0.4505 0.8142 H 1 UNL1 0.1628 25 H 1.7144 -0.1553 -1.6630 H 1 UNL1 0.1921 26 H 1.4627 1.6187 -1.5138 H 1 UNL1 0.1721 27 H -0.8936 1.3973 -0.7665 H 1 UNL1 0.1557 28 H -0.7807 -0.3920 -0.9723 H 1 UNL1 0.1671 29 H 3.2753 3.0346 -0.4143 H 1 UNL1 0.1934 30 H 5.8193 2.4772 0.5492 H 1 UNL1 0.1972 31 H -4.4158 -1.1378 -1.9484 H 1 UNL1 0.1736 32 H -3.1200 0.0871 -2.0520 H 1 UNL1 0.1574 33 H -5.5731 0.9389 -1.4300 H 1 UNL1 0.1646 34 H -5.2584 0.2668 0.2089 H 1 UNL1 0.1945 @BOND 1 32 20 1 2 31 20 1 3 25 14 1 4 26 14 1 5 33 21 1 6 20 21 1 7 20 9 1 8 28 15 1 9 14 7 1 10 14 13 1 11 27 15 1 12 21 1 1 13 21 34 1 14 5 11 2 15 7 17 ar 16 7 16 ar 17 12 9 1 18 12 6 2 19 29 17 1 20 9 18 am 21 15 13 1 22 15 8 1 23 17 19 ar 24 11 16 1 25 11 4 2 26 16 10 ar 27 13 24 1 28 13 2 1 29 19 10 ar 30 19 30 1 31 18 8 am 32 18 3 2 33 8 23 1 34 2 22 1