@MOLECULE 5'-o-[{[({[(2-chloroethyl)(methyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 57 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.1077 0.1896 -1.1328 C.3 1 UNL1 0.2393 2 C 3.6834 -1.0136 -1.9392 C.3 1 UNL1 0.0271 3 C 1.3358 -1.3154 -1.4026 C.3 1 UNL1 0.0355 4 C 2.4146 -1.7621 -2.4143 C.3 1 UNL1 0.0847 5 C 3.3853 0.3214 1.4566 C.ar 1 UNL1 0.1476 6 C 7.2500 1.4409 -0.4573 C.ar 1 UNL1 0.3110 7 C 1.1214 -2.3189 -0.2653 C.3 1 UNL1 -0.0610 8 C -3.7524 2.7320 -0.2083 C.3 1 UNL1 -0.1020 9 C -4.5582 3.6483 -1.1429 C.3 1 UNL1 -0.1741 10 C -2.5185 1.0582 -1.5240 C.3 1 UNL1 -0.2245 11 H 5.1503 0.0219 -2.7260 H 1 UNL1 0.3681 12 H 2.6025 -0.7389 -4.0947 H 1 UNL1 0.3454 13 H 8.1266 2.0498 3.2807 H 1 UNL1 0.3254 14 H 6.5795 1.5693 3.8872 H 1 UNL1 0.3299 15 C 6.7710 1.4652 1.8489 C.ar 1 UNL1 0.4703 16 O -3.7189 -1.8508 3.1042 O.2 1 UNL1 -0.1644 17 O -1.4744 -4.2928 -0.2121 O.2 1 UNL1 -0.2514 18 O -5.1457 -0.9261 -0.9853 O.2 1 UNL1 -0.2767 19 O 4.3875 -0.5337 -3.0525 O.3 1 UNL1 -0.5502 20 O 1.9729 -1.3759 -3.6870 O.3 1 UNL1 -0.5380 21 O -1.7578 -0.3254 2.5549 O.3 1 UNL1 -0.2960 22 O -1.8513 -2.0300 -1.3917 O.3 1 UNL1 -0.3981 23 O -5.7389 0.9496 0.7377 O.3 1 UNL1 -0.3439 24 O -2.3764 -2.4666 1.1689 O.3 1 UNL1 -0.1175 25 O -3.6068 -0.3141 0.9877 O.3 1 UNL1 -0.3204 26 O -0.1405 -2.0754 0.3538 O.3 1 UNL1 -0.2539 27 H -1.1697 -0.0482 1.7578 H 1 UNL1 0.3187 28 H -2.8656 -2.0914 -1.5553 H 1 UNL1 0.3434 29 H -6.3673 0.2604 1.1761 H 1 UNL1 0.3265 30 CL -4.1984 5.3328 -0.6817 Cl 1 UNL1 -0.1928 31 O 1.7723 -0.0753 -0.8186 O.3 1 UNL1 -0.4136 32 N 7.1971 1.7154 3.1102 N.pl3 1 UNL1 -0.5420 33 N 4.3385 0.6811 2.3133 N.ar 1 UNL1 -0.3422 34 N 6.0374 1.0008 -0.8607 N.ar 1 UNL1 -0.5515 35 N 7.6456 1.6777 0.8165 N.ar 1 UNL1 -0.5688 36 N -3.8295 1.3787 -0.8625 N.3 1 UNL1 -0.2284 37 P -2.9359 -1.2531 2.0478 P.3 1 UNL1 0.3744 38 P -1.4808 -2.8484 -0.0759 P.3 1 UNL1 0.3497 39 P -4.6617 0.1189 -0.1022 P.3 1 UNL1 0.3684 40 C 5.1610 0.8026 0.1617 C.ar 1 UNL1 0.2693 41 C 5.4615 0.9975 1.5493 C.ar 1 UNL1 -0.1946 42 N 3.8468 0.3698 0.1169 N.ar 1 UNL1 -0.3886 43 H 3.1222 1.1498 -1.7139 H 1 UNL1 0.1707 44 H 4.3503 -1.6618 -1.3349 H 1 UNL1 0.1521 45 H 0.3882 -1.0299 -1.9255 H 1 UNL1 0.1993 46 H 2.5525 -2.8572 -2.4785 H 1 UNL1 0.1546 47 H 2.3732 0.0217 1.7019 H 1 UNL1 0.2158 48 H 1.3026 -3.3614 -0.5963 H 1 UNL1 0.1413 49 H 1.8097 -2.1092 0.5873 H 1 UNL1 0.1447 50 H 8.0053 1.6295 -1.2436 H 1 UNL1 0.2035 51 H -2.6979 3.0771 -0.1137 H 1 UNL1 0.1414 52 H -4.1678 2.7883 0.8284 H 1 UNL1 0.1699 53 H -2.5767 0.1375 -2.1416 H 1 UNL1 0.1689 54 H -2.2948 1.8892 -2.2189 H 1 UNL1 0.1299 55 H -1.6593 0.9417 -0.8379 H 1 UNL1 0.1443 56 H -4.2805 3.5379 -2.2042 H 1 UNL1 0.1575 57 H -5.6461 3.5096 -1.0411 H 1 UNL1 0.1657 @BOND 1 12 20 1 2 20 4 1 3 19 11 1 4 19 2 1 5 46 4 1 6 4 2 1 7 4 3 1 8 54 10 1 9 56 9 1 10 53 10 1 11 2 44 1 12 2 1 1 13 45 3 1 14 43 1 1 15 28 22 1 16 10 36 1 17 10 55 1 18 3 31 1 19 3 7 1 20 22 38 1 21 50 6 1 22 9 57 1 23 9 30 1 24 9 8 1 25 1 31 1 26 1 42 1 27 18 39 2 28 36 8 1 29 36 39 1 30 34 6 ar 31 34 40 ar 32 48 7 1 33 6 35 ar 34 7 26 1 35 7 49 1 36 17 38 2 37 8 51 1 38 8 52 1 39 39 23 1 40 39 25 1 41 38 26 1 42 38 24 1 43 42 40 ar 44 42 5 ar 45 40 41 ar 46 23 29 1 47 35 15 ar 48 25 37 1 49 24 37 1 50 5 47 1 51 5 33 ar 52 41 15 ar 53 41 33 ar 54 27 21 1 55 15 32 1 56 37 21 1 57 37 16 2 58 32 13 1 59 32 14 1