@MOLECULE n-phenyladenosine 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -3.6939 0.7867 -0.8161 O.3 1 UNL1111111111 -0.4266 2 O2* -3.0885 -2.5142 0.1708 O.3 1 UNL1111111111 -0.5518 3 O3* -5.5620 -1.5608 0.1579 O.3 1 UNL1111111111 -0.5364 4 O5* -4.5777 3.0274 0.5832 O.3 1 UNL1111111111 -0.5170 5 N -1.4531 0.2502 -0.6935 N.ar 1 UNL1111111111 -0.3798 6 N 0.2886 1.7068 -0.8046 N.ar 1 UNL1111111111 -0.3432 7 N -0.1817 -1.8098 -0.1224 N.ar 1 UNL1111111111 -0.5472 8 N 3.1530 0.7634 -0.2509 N.pl3 1 UNL1111111111 -0.4395 9 N 2.1976 -1.4070 0.0579 N.ar 1 UNL1111111111 -0.5567 10 C2* -3.1440 -1.1544 0.4879 C.3 1 UNL1111111111 0.0373 11 C1* -2.8039 -0.3017 -0.7737 C.3 1 UNL1111111111 0.2484 12 C3* -4.6063 -0.7561 0.7964 C.3 1 UNL1111111111 0.0889 13 C4* -4.7155 0.6570 0.1847 C.3 1 UNL1111111111 0.0281 14 C5* -4.4879 1.7688 1.2133 C.3 1 UNL1111111111 -0.0492 15 C -0.3122 -0.4858 -0.4106 C.ar 1 UNL1111111111 0.2687 16 C -1.0309 1.5809 -0.9363 C.ar 1 UNL1111111111 0.1589 17 C 0.7765 0.4427 -0.4793 C.ar 1 UNL1111111111 -0.1861 18 C 2.0798 -0.0784 -0.2210 C.ar 1 UNL1111111111 0.4629 19 C 1.0933 -2.1933 0.0939 C.ar 1 UNL1111111111 0.3095 20 C 4.5083 0.4429 0.0179 C.ar 1 UNL1111111111 0.1983 21 C 5.3386 1.5196 0.3800 C.ar 1 UNL1111111111 -0.2274 22 C 5.0339 -0.8477 -0.0978 C.ar 1 UNL1111111111 -0.1824 23 C 6.6855 1.2894 0.6311 C.ar 1 UNL1111111111 -0.1081 24 C 6.3864 -1.0578 0.1612 C.ar 1 UNL1111111111 -0.1096 25 C 7.2134 0.0026 0.5250 C.ar 1 UNL1111111111 -0.1849 26 H2* -2.4659 -0.9437 1.3428 H 1 UNL1111111111 0.1524 27 H1* -2.9293 -0.8644 -1.7351 H 1 UNL1111111111 0.1755 28 H3* -4.8501 -0.7993 1.8776 H 1 UNL1111111111 0.1511 29 H4* -5.6602 0.7981 -0.3895 H 1 UNL1111111111 0.1850 30 H5*1 -3.5057 1.6855 1.7123 H 1 UNL1111111111 0.1280 31 H5*2 -5.2928 1.8006 1.9726 H 1 UNL1111111111 0.1543 32 H2* -2.1297 -2.7635 0.0301 H 1 UNL1111111111 0.3728 33 H3* -5.1403 -2.3768 -0.2031 H 1 UNL1111111111 0.3495 34 H -1.7292 2.3629 -1.1978 H 1 UNL1111111111 0.2065 35 H5* -3.9422 3.0585 -0.1653 H 1 UNL1111111111 0.3172 36 H 1.2669 -3.2592 0.3279 H 1 UNL1111111111 0.2024 37 H 2.9384 1.7510 -0.4345 H 1 UNL1111111111 0.3418 38 H 4.9334 2.5247 0.4715 H 1 UNL1111111111 0.1605 39 H 4.4003 -1.6905 -0.3839 H 1 UNL1111111111 0.1971 40 H 7.3321 2.1188 0.9147 H 1 UNL1111111111 0.1495 41 H 6.7969 -2.0629 0.0755 H 1 UNL1111111111 0.1507 42 H 8.2674 -0.1715 0.7255 H 1 UNL1111111111 0.1509 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 32 1 5 3 12 1 6 3 33 1 7 4 14 1 8 4 35 1 9 5 11 1 10 5 15 ar 11 5 16 ar 12 6 16 ar 13 6 17 ar 14 7 15 ar 15 7 19 ar 16 8 18 1 17 8 20 1 18 8 37 1 19 9 18 ar 20 9 19 ar 21 10 11 1 22 10 12 1 23 10 26 1 24 11 27 1 25 12 13 1 26 12 28 1 27 13 14 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 17 ar 32 16 34 1 33 17 18 ar 34 19 36 1 35 20 21 ar 36 20 22 ar 37 21 23 ar 38 21 38 1 39 22 24 ar 40 22 39 1 41 23 25 ar 42 23 40 1 43 24 25 ar 44 24 41 1 45 25 42 1