@MOLECULE cgp 361a 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0547 0.6076 1.3559 O.3 1 UNL1111111111 -0.3512 2 O 2.5953 0.3297 2.4815 O.3 1 UNL1111111111 -0.5543 3 N 2.3954 0.9968 -1.1209 N.3 1 UNL1111111111 -0.5722 4 N -1.0279 -1.5683 0.2231 N.ar 1 UNL1111111111 -0.1846 5 C 2.3534 1.0727 1.3106 C.3 1 UNL1111111111 0.1459 6 C 2.5086 0.1467 0.0794 C.3 1 UNL1111111111 -0.1671 7 C 1.2125 0.6931 -1.9570 C.3 1 UNL1111111111 0.0974 8 C 0.9587 1.7196 1.3813 C.3 1 UNL1111111111 -0.0968 9 C 1.3514 -0.6199 -2.7465 C.3 1 UNL1111111111 -0.5050 10 C 1.0085 1.8740 -2.9204 C.3 1 UNL1111111111 -0.4598 11 C -1.1565 0.8101 0.7851 C.ar 1 UNL1111111111 0.2153 12 C -1.7412 -0.3518 0.2289 C.ar 1 UNL1111111111 0.0377 13 C -1.8327 2.0276 0.7695 C.ar 1 UNL1111111111 -0.2559 14 C -3.0174 -0.2683 -0.3334 C.ar 1 UNL1111111111 -0.1264 15 C -0.8898 -2.4040 -0.8841 C.ar 1 UNL1111111111 -0.1037 16 C -0.2340 -2.0504 1.2607 C.ar 1 UNL1111111111 -0.0781 17 C -3.1009 2.0899 0.1963 C.ar 1 UNL1111111111 -0.0888 18 C -3.6891 0.9520 -0.3521 C.ar 1 UNL1111111111 -0.1868 19 C -0.0132 -3.4273 -0.5353 C.ar 1 UNL1111111111 -0.2149 20 C 0.3970 -3.2068 0.8106 C.ar 1 UNL1111111111 -0.2312 21 H 3.1459 1.8556 1.3337 H 1 UNL1111111111 0.1544 22 H 3.4921 -0.3646 0.1339 H 1 UNL1111111111 0.1407 23 H 1.7429 -0.6603 0.1148 H 1 UNL1111111111 0.1584 24 H 0.3223 0.6194 -1.2787 H 1 UNL1111111111 0.1370 25 H 3.2489 0.9791 -1.6714 H 1 UNL1111111111 0.2619 26 H 0.8043 2.3987 0.5223 H 1 UNL1111111111 0.1549 27 H 0.7913 2.2410 2.3382 H 1 UNL1111111111 0.1434 28 H 0.4815 -0.7842 -3.3901 H 1 UNL1111111111 0.1511 29 H 2.2389 -0.6201 -3.3849 H 1 UNL1111111111 0.1474 30 H 1.4212 -1.4831 -2.0719 H 1 UNL1111111111 0.1598 31 H 0.9951 2.8232 -2.3706 H 1 UNL1111111111 0.1546 32 H 0.0588 1.7806 -3.4552 H 1 UNL1111111111 0.1436 33 H 1.8104 1.9374 -3.6620 H 1 UNL1111111111 0.1455 34 H 1.9235 -0.3769 2.5836 H 1 UNL1111111111 0.3245 35 H -1.3817 2.9168 1.2014 H 1 UNL1111111111 0.1700 36 H -3.4822 -1.1598 -0.7566 H 1 UNL1111111111 0.1691 37 H -1.4010 -2.2189 -1.8055 H 1 UNL1111111111 0.1630 38 H -0.1955 -1.5683 2.2175 H 1 UNL1111111111 0.1694 39 H -3.6372 3.0383 0.1800 H 1 UNL1111111111 0.1513 40 H -4.6809 1.0131 -0.7964 H 1 UNL1111111111 0.1587 41 H 0.2949 -4.2411 -1.1544 H 1 UNL1111111111 0.1597 42 H 1.0606 -3.8295 1.3696 H 1 UNL1111111111 0.1623 @BOND 1 1 8 1 2 1 11 1 3 2 5 1 4 2 34 1 5 3 6 1 6 3 7 1 7 3 25 1 8 4 12 1 9 4 15 ar 10 4 16 ar 11 5 6 1 12 5 8 1 13 5 21 1 14 6 22 1 15 6 23 1 16 7 9 1 17 7 10 1 18 7 24 1 19 8 26 1 20 8 27 1 21 9 28 1 22 9 29 1 23 9 30 1 24 10 31 1 25 10 32 1 26 10 33 1 27 11 12 ar 28 11 13 ar 29 12 14 ar 30 13 17 ar 31 13 35 1 32 14 18 ar 33 14 36 1 34 15 19 ar 35 15 37 1 36 16 20 ar 37 16 38 1 38 17 18 ar 39 17 39 1 40 18 40 1 41 19 20 ar 42 19 41 1 43 20 42 1