@MOLECULE n-benzoyl-2'-deoxyadenosine 5'-(dihydrogen phosphate) 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.2609 2.7202 -0.0168 P.3 1 UNL11 0.3542 2 O -3.3026 -0.9713 -1.1321 O.3 1 UNL11 -0.3841 3 O -5.1878 -2.7998 0.6976 O.3 1 UNL11 -0.5449 4 O -3.2087 1.5289 0.0579 O.3 1 UNL11 -0.1985 5 O -5.6475 1.9612 -0.2304 O.3 1 UNL11 -0.3321 6 O -4.4736 3.2441 1.4833 O.3 1 UNL11 -0.4332 7 O -3.8225 3.6865 -1.0047 O.2 1 UNL11 -0.2428 8 O 5.2209 -1.6708 0.6305 O.2 1 UNL11 -0.3683 9 N -1.0570 -1.3681 -0.7827 N.ar 1 UNL11 -0.4008 10 N 0.5485 0.2445 -0.8562 N.ar 1 UNL11 -0.3635 11 N 0.3484 -3.2376 0.0740 N.ar 1 UNL11 -0.4981 12 N 2.6536 -2.5805 0.4174 N.ar 1 UNL11 -0.4907 13 N 3.4391 -0.3638 -0.0175 N.am 1 UNL11 -0.5527 14 C -3.9793 -2.1048 0.8451 C.3 1 UNL11 0.1256 15 C -2.3672 -2.0102 -0.9843 C.3 1 UNL11 0.3076 16 C -4.0252 -0.7595 0.0804 C.3 1 UNL11 0.0166 17 C -2.8054 -2.8703 0.2102 C.3 1 UNL11 -0.4066 18 C -3.3808 0.3715 0.8903 C.3 1 UNL11 -0.0748 19 C 0.1131 -1.9659 -0.3391 C.ar 1 UNL11 0.2592 20 C -0.7350 -0.0193 -1.0900 C.ar 1 UNL11 0.1774 21 C 1.1179 -0.9395 -0.3901 C.ar 1 UNL11 -0.1871 22 C 2.4300 -1.3105 0.0105 C.ar 1 UNL11 0.4602 23 C 1.6263 -3.4721 0.4309 C.ar 1 UNL11 0.2758 24 C 4.8004 -0.5970 0.3046 C.2 1 UNL11 0.5702 25 C 5.6264 0.6367 0.1789 C.ar 1 UNL11 -0.1359 26 C 6.6678 0.6503 -0.7475 C.ar 1 UNL11 -0.0963 27 C 5.3843 1.7363 1.0008 C.ar 1 UNL11 -0.1125 28 C 7.4681 1.7855 -0.8601 C.ar 1 UNL11 -0.1579 29 C 6.1916 2.8661 0.8868 C.ar 1 UNL11 -0.1569 30 C 7.2296 2.8908 -0.0443 C.ar 1 UNL11 -0.1205 31 H -3.8988 -2.0009 1.9464 H 1 UNL11 0.1553 32 H -2.3603 -2.5400 -1.9699 H 1 UNL11 0.1595 33 H -5.0484 -0.5034 -0.2788 H 1 UNL11 0.1818 34 H -3.1099 -3.8848 -0.1062 H 1 UNL11 0.1835 35 H -1.9866 -3.0515 0.9334 H 1 UNL11 0.1979 36 H -3.9179 0.5302 1.8463 H 1 UNL11 0.1472 37 H -2.3122 0.1502 1.1231 H 1 UNL11 0.1506 38 H -5.3982 -2.9624 -0.2457 H 1 UNL11 0.3217 39 H -1.4830 0.6787 -1.4615 H 1 UNL11 0.2322 40 H 1.8773 -4.4921 0.7726 H 1 UNL11 0.2053 41 H 3.1526 0.5700 -0.3341 H 1 UNL11 0.3442 42 H -6.4078 2.5797 0.0751 H 1 UNL11 0.3184 43 H -3.7640 3.9391 1.7059 H 1 UNL11 0.3294 44 H 6.8568 -0.2227 -1.3743 H 1 UNL11 0.1661 45 H 4.5760 1.7122 1.7321 H 1 UNL11 0.1619 46 H 8.2815 1.8078 -1.5832 H 1 UNL11 0.1543 47 H 6.0134 3.7294 1.5252 H 1 UNL11 0.1531 48 H 7.8574 3.7762 -0.1332 H 1 UNL11 0.1491 @BOND 1 1 4 1 2 1 5 1 3 1 6 1 4 1 7 2 5 2 15 1 6 2 16 1 7 3 14 1 8 3 38 1 9 4 18 1 10 5 42 1 11 6 43 1 12 8 24 2 13 9 15 1 14 9 19 ar 15 9 20 ar 16 10 20 ar 17 10 21 ar 18 11 19 ar 19 11 23 ar 20 12 22 ar 21 12 23 ar 22 13 22 1 23 13 24 am 24 13 41 1 25 14 16 1 26 14 17 1 27 14 31 1 28 15 17 1 29 15 32 1 30 16 18 1 31 16 33 1 32 17 34 1 33 17 35 1 34 18 36 1 35 18 37 1 36 19 21 ar 37 20 39 1 38 21 22 ar 39 23 40 1 40 24 25 1 41 25 26 ar 42 25 27 ar 43 26 28 ar 44 26 44 1 45 27 29 ar 46 27 45 1 47 28 30 ar 48 28 46 1 49 29 30 ar 50 29 47 1 51 30 48 1