@MOLECULE 8-[(e)-benzylideneamino]-2'-deoxyadenosine 3'-(dihydrogen phosphate) 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 P 4.7064 -1.8447 -0.6591 P.3 1 UNL11111111111 0.3264 2 O 0.5170 -0.7176 1.2458 O.3 1 UNL11111111111 -0.4207 3 O 3.1077 -1.8361 -0.7244 O.3 1 UNL11111111111 -0.2501 4 O 3.7869 -0.1498 2.5376 O.3 1 UNL11111111111 -0.5554 5 O 5.0552 -0.4012 -1.2617 O.3 1 UNL11111111111 -0.3984 6 O 5.1499 -1.7540 0.8561 O.3 1 UNL11111111111 -0.3824 7 O 5.2207 -3.0272 -1.3265 O.2 1 UNL11111111111 -0.2103 8 N -0.6795 0.6928 -0.1508 N.ar 1 UNL11111111111 -0.3608 9 N -2.3320 2.2926 -0.1136 N.ar 1 UNL11111111111 -0.3904 10 N 1.2746 2.2344 -0.2330 N.ar 1 UNL11111111111 -0.5197 11 N -2.9623 -0.1010 -0.0614 N.2 1 UNL11111111111 -0.4012 12 N 0.6427 4.5710 -0.2727 N.ar 1 UNL11111111111 -0.5671 13 N -1.5758 5.3075 -0.2041 N.pl3 1 UNL11111111111 -0.5502 14 C 2.3324 -0.6939 -0.3345 C.3 1 UNL11111111111 0.1054 15 C -0.0784 -0.6427 -0.0300 C.3 1 UNL11111111111 0.3235 16 C 1.0009 -0.8933 -1.0892 C.3 1 UNL11111111111 -0.3682 17 C 1.9377 -0.8149 1.1597 C.3 1 UNL11111111111 0.0200 18 C 2.5333 0.2886 2.0363 C.3 1 UNL11111111111 -0.0344 19 C -0.0476 1.9261 -0.1779 C.ar 1 UNL11111111111 0.3003 20 C -2.0783 0.9728 -0.0899 C.ar 1 UNL11111111111 0.3650 21 C -1.0937 2.9164 -0.1672 C.ar 1 UNL11111111111 -0.1955 22 C -0.6906 4.2779 -0.2137 C.ar 1 UNL11111111111 0.4637 23 C 1.5403 3.5557 -0.2823 C.ar 1 UNL11111111111 0.2939 24 C -4.2438 0.0851 -0.0167 C.2 1 UNL11111111111 0.1487 25 C -5.1345 -1.0832 -0.0022 C.ar 1 UNL11111111111 -0.0749 26 C -6.4815 -0.9029 -0.3393 C.ar 1 UNL11111111111 -0.1229 27 C -4.6650 -2.3557 0.3369 C.ar 1 UNL11111111111 -0.0785 28 C -7.3476 -1.9916 -0.3413 C.ar 1 UNL11111111111 -0.1662 29 C -5.5380 -3.4412 0.3397 C.ar 1 UNL11111111111 -0.1730 30 C -6.8770 -3.2604 -0.0007 C.ar 1 UNL11111111111 -0.1160 31 H 2.7861 0.2956 -0.5823 H 1 UNL11111111111 0.1790 32 H -0.9078 -1.3997 -0.0084 H 1 UNL11111111111 0.1799 33 H 0.9324 -1.9214 -1.4988 H 1 UNL11111111111 0.1845 34 H 0.9248 -0.2162 -1.9565 H 1 UNL11111111111 0.1784 35 H 2.1615 -1.8279 1.5698 H 1 UNL11111111111 0.1575 36 H 1.8629 0.5599 2.8700 H 1 UNL11111111111 0.1375 37 H 2.7972 1.2054 1.4705 H 1 UNL11111111111 0.1746 38 H 3.6691 -0.8423 3.2224 H 1 UNL11111111111 0.3219 39 H 2.6045 3.8482 -0.3344 H 1 UNL11111111111 0.2009 40 H 6.0444 -0.3786 -1.5060 H 1 UNL11111111111 0.3225 41 H 4.6561 -0.9981 1.3584 H 1 UNL11111111111 0.3488 42 H -4.7325 1.0761 0.0047 H 1 UNL11111111111 0.1646 43 H -1.2580 6.2561 -0.2394 H 1 UNL11111111111 0.3236 44 H -2.5587 5.1185 -0.1616 H 1 UNL11111111111 0.3272 45 H -6.8530 0.0858 -0.6076 H 1 UNL11111111111 0.1547 46 H -3.6123 -2.4928 0.5973 H 1 UNL11111111111 0.1747 47 H -8.3938 -1.8552 -0.6093 H 1 UNL11111111111 0.1540 48 H -5.1721 -4.4314 0.6055 H 1 UNL11111111111 0.1547 49 H -7.5585 -4.1098 -0.0016 H 1 UNL11111111111 0.1504 @BOND 1 1 3 1 2 1 5 1 3 1 6 1 4 1 7 2 5 2 15 1 6 2 17 1 7 3 14 1 8 4 18 1 9 4 38 1 10 5 40 1 11 6 41 1 12 8 15 1 13 8 19 ar 14 8 20 ar 15 9 20 ar 16 9 21 ar 17 10 19 ar 18 10 23 ar 19 11 20 1 20 11 24 2 21 12 22 ar 22 12 23 ar 23 13 22 1 24 13 43 1 25 13 44 1 26 14 16 1 27 14 17 1 28 14 31 1 29 15 16 1 30 15 32 1 31 16 33 1 32 16 34 1 33 17 18 1 34 17 35 1 35 18 36 1 36 18 37 1 37 19 21 ar 38 21 22 ar 39 23 39 1 40 24 25 1 41 24 42 1 42 25 26 ar 43 25 27 ar 44 26 28 ar 45 26 45 1 46 27 29 ar 47 27 46 1 48 28 30 ar 49 28 47 1 50 29 30 ar 51 29 48 1 52 30 49 1