@MOLECULE 1-phenyl-2-nitro-1-propene 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.8256 1.2095 -0.5220 C.ar 1 UNL1 -0.1444 2 C 1.5709 -0.8266 0.7640 C.ar 1 UNL1 -0.1469 3 C 3.1887 0.9552 -0.6479 C.ar 1 UNL1 -0.1432 4 C 2.9363 -1.0722 0.6400 C.ar 1 UNL1 -0.1458 5 C 3.7446 -0.1849 -0.0687 C.ar 1 UNL1 -0.1417 6 C -1.2135 -1.5274 -0.8089 C.3 1 UNL1 -0.4436 7 C 1.0130 0.3129 0.1785 C.ar 1 UNL1 -0.0252 8 O -3.0046 1.2693 0.5720 O.2 1 UNL1 -0.4083 9 C -1.3844 -0.2230 -0.1252 C.2 1 UNL1 -0.0115 10 C -0.4146 0.5982 0.3081 C.2 1 UNL1 -0.1084 11 O -3.6587 -0.5910 -0.2848 O.2 1 UNL1 -0.3890 12 N -2.7812 0.1790 0.0672 N.pl3 1 UNL1 0.6022 13 H -0.6514 1.5605 0.7897 H 1 UNL1 0.1946 14 H 1.3926 2.1016 -0.9728 H 1 UNL1 0.1599 15 H 0.9404 -1.5166 1.3233 H 1 UNL1 0.1595 16 H 3.8226 1.6492 -1.1982 H 1 UNL1 0.1543 17 H 3.3726 -1.9583 1.0982 H 1 UNL1 0.1533 18 H -1.5664 -2.3661 -0.1842 H 1 UNL1 0.1777 19 H -1.7955 -1.5795 -1.7469 H 1 UNL1 0.1821 20 H -0.1631 -1.7277 -1.0717 H 1 UNL1 0.1712 21 H 4.8110 -0.3805 -0.1680 H 1 UNL1 0.1532 @BOND 1 19 6 1 2 16 3 1 3 20 6 1 4 14 1 1 5 6 18 1 6 6 9 1 7 3 1 ar 8 3 5 ar 9 1 7 ar 10 11 12 2 11 21 5 1 12 9 12 1 13 9 10 2 14 5 4 ar 15 12 8 2 16 7 10 1 17 7 2 ar 18 10 13 1 19 4 2 ar 20 4 17 1 21 2 15 1