@MOLECULE 2-amino-1-cyclopentene-1-carbodithioic acid 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 1.6955 1.5067 0.0100 S.2 1 UNCH1111111111 -0.4678 2 S2 2.0004 -1.4447 -0.0085 S.3 1 UNCH1111111111 -0.1238 3 N1 -1.3057 2.0769 -0.0027 N.pl3 1 UNCH1111111111 -0.5302 4 C1 0.9749 0.0112 0.0010 C.2 1 UNCH1111111111 0.1228 5 C2 -0.4009 -0.2173 -0.0013 C.2 1 UNCH1111111111 -0.3034 6 C3 -1.4208 0.7380 -0.0076 C.2 1 UNCH1111111111 0.3484 7 C4 -2.7992 0.1207 -0.0252 C.3 1 UNCH1111111111 -0.3202 8 C5 -2.5508 -1.3981 0.0342 C.3 1 UNCH1111111111 -0.2553 9 C6 -1.0162 -1.5961 -0.0011 C.3 1 UNCH1111111111 -0.2288 10 H3 3.2291 -0.8981 -0.0091 H 1 UNCH1111111111 0.1881 11 H1 -2.1088 2.6721 -0.0104 H 1 UNCH1111111111 0.3011 12 H2 -0.3954 2.5369 0.0078 H 1 UNCH1111111111 0.3489 13 H41 -3.4127 0.4632 0.8282 H 1 UNCH1111111111 0.1625 14 H42 -3.3518 0.4014 -0.9418 H 1 UNCH1111111111 0.1643 15 H51 -2.9792 -1.8344 0.9515 H 1 UNCH1111111111 0.1431 16 H52 -3.0342 -1.9165 -0.8095 H 1 UNCH1111111111 0.1428 17 H61 -0.6850 -2.1873 0.8739 H 1 UNCH1111111111 0.1540 18 H62 -0.7215 -2.1682 -0.9017 H 1 UNCH1111111111 0.1535 @BOND 1 1 4 2 2 2 4 1 3 2 10 1 4 3 6 1 5 3 11 1 6 3 12 1 7 4 5 1 8 5 6 2 9 5 9 1 10 6 7 1 11 7 8 1 12 7 13 1 13 7 14 1 14 8 9 1 15 8 15 1 16 8 16 1 17 9 17 1 18 9 18 1