@MOLECULE n-benzyladenosine 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -3.8979 0.4398 -0.7334 O.3 1 UNL1111111111 -0.4147 2 O2* -3.9315 -2.5457 0.2354 O.3 1 UNL1111111111 -0.5454 3 O3* -5.1323 -1.2347 2.1372 O.3 1 UNL1111111111 -0.5140 4 O5* -5.6872 2.6083 -0.0220 O.3 1 UNL1111111111 -0.5280 5 N -1.6242 0.1023 -0.5681 N.ar 1 UNL1111111111 -0.3886 6 N -0.0358 1.6835 -0.1816 N.ar 1 UNL1111111111 -0.3385 7 N -0.1671 -1.6528 -1.5537 N.ar 1 UNL1111111111 -0.5249 8 N 2.9000 1.1600 -0.9472 N.pl3 1 UNL1111111111 -0.4517 9 N 2.1599 -0.9814 -1.6603 N.ar 1 UNL1111111111 -0.5790 10 C2* -3.1903 -1.4155 0.6205 C.3 1 UNL1111111111 0.0301 11 C1* -2.9190 -0.5659 -0.6564 C.3 1 UNL1111111111 0.2581 12 C3* -4.1465 -0.5230 1.4586 C.3 1 UNL1111111111 0.0910 13 C4* -4.7649 0.4245 0.4079 C.3 1 UNL1111111111 0.0034 14 C5* -4.8920 1.8724 0.8803 C.3 1 UNL1111111111 -0.0306 15 C -0.4219 -0.4379 -1.0027 C.ar 1 UNL1111111111 0.2809 16 C -1.3332 1.4092 -0.0944 C.ar 1 UNL1111111111 0.1450 17 C 0.5705 0.5618 -0.7397 C.ar 1 UNL1111111111 -0.1982 18 C 1.9123 0.2418 -1.0985 C.ar 1 UNL1111111111 0.4594 19 C 1.1326 -1.8450 -1.8631 C.ar 1 UNL1111111111 0.3039 20 C 4.3018 0.8824 -1.2726 C.3 1 UNL1111111111 -0.0790 21 C 5.0695 0.4229 -0.0600 C.ar 1 UNL1111111111 -0.0478 22 C 5.8937 1.3072 0.6360 C.ar 1 UNL1111111111 -0.1563 23 C 4.9385 -0.8989 0.3687 C.ar 1 UNL1111111111 -0.1349 24 C 6.5852 0.8671 1.7632 C.ar 1 UNL1111111111 -0.1517 25 C 5.6276 -1.3340 1.4972 C.ar 1 UNL1111111111 -0.1489 26 C 6.4517 -0.4517 2.1947 C.ar 1 UNL1111111111 -0.1436 27 H2* -2.2760 -1.7168 1.1639 H 1 UNL1111111111 0.1540 28 H1* -2.9813 -1.1559 -1.6087 H 1 UNL1111111111 0.1858 29 H3* -3.6101 0.0127 2.2729 H 1 UNL1111111111 0.1576 30 H4* -5.7414 0.0397 0.0322 H 1 UNL1111111111 0.1713 31 H5*1 -3.9145 2.3743 0.9921 H 1 UNL1111111111 0.1226 32 H5*2 -5.4558 1.9362 1.8333 H 1 UNL1111111111 0.1593 33 H2* -3.3360 -3.2403 -0.1256 H 1 UNL1111111111 0.3427 34 H3* -5.4497 -1.9985 1.5956 H 1 UNL1111111111 0.3415 35 H -2.1071 2.0695 0.2663 H 1 UNL1111111111 0.2019 36 H5* -5.2999 2.5598 -0.9230 H 1 UNL1111111111 0.3227 37 H 2.7040 1.9824 -0.3797 H 1 UNL1111111111 0.3346 38 H 1.3982 -2.8122 -2.3254 H 1 UNL1111111111 0.1981 39 H 4.7344 1.8195 -1.7037 H 1 UNL1111111111 0.1531 40 H 4.3564 0.1079 -2.0823 H 1 UNL1111111111 0.1872 41 H 5.9996 2.3378 0.3051 H 1 UNL1111111111 0.1491 42 H 4.2897 -1.5848 -0.1814 H 1 UNL1111111111 0.1743 43 H 7.2287 1.5544 2.3084 H 1 UNL1111111111 0.1484 44 H 5.5218 -2.3631 1.8348 H 1 UNL1111111111 0.1510 45 H 6.9900 -0.7924 3.0768 H 1 UNL1111111111 0.1487 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 33 1 5 3 12 1 6 3 34 1 7 4 14 1 8 4 36 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 27 1 24 11 28 1 25 12 13 1 26 12 29 1 27 13 14 1 28 13 30 1 29 14 31 1 30 14 32 1 31 15 17 ar 32 16 35 1 33 17 18 ar 34 19 38 1 35 20 21 1 36 20 39 1 37 20 40 1 38 21 22 ar 39 21 23 ar 40 22 24 ar 41 22 41 1 42 23 25 ar 43 23 42 1 44 24 26 ar 45 24 43 1 46 25 26 ar 47 25 44 1 48 26 45 1