@MOLECULE n-(3-methyl-2-buten-1-yl)-5'-o-phosphonatoadenosine 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.6745 -2.3218 -0.3491 P.3 1 UNL1 0.3201 2 O 2.3230 0.7832 -0.7137 O.3 1 UNL1 -0.4338 3 O 1.7250 4.0655 -0.2896 O.3 1 UNL1 -0.5482 4 O 3.9009 3.3785 0.8757 O.3 1 UNL1 -0.5326 5 O 4.2535 -1.1430 0.5794 O.3 1 UNL1 -0.2993 6 O 3.5586 -1.7041 -1.8123 O.3 1 UNL1 -0.3453 7 O 2.1976 -2.6572 0.1353 O.3 1 UNL1 -0.3572 8 O 4.5788 -3.4541 -0.2933 O.2 1 UNL1 -0.1484 9 N 0.0577 1.2176 -0.8094 N.ar 1 UNL1 -0.3852 10 N -2.1340 0.9404 -1.3639 N.ar 1 UNL1 -0.3301 11 N 0.1537 -0.3856 1.0911 N.ar 1 UNL1 -0.5615 12 N -3.9123 -1.0591 0.3420 N.pl3 1 UNL1 -0.4388 13 N -1.9809 -1.4152 1.5669 N.ar 1 UNL1 -0.5811 14 C 1.6002 2.8139 0.3382 C.3 1 UNL1 0.0223 15 C 2.9334 2.3735 0.9921 C.3 1 UNL1 0.0567 16 C 1.3800 1.8195 -0.8360 C.3 1 UNL1 0.2874 17 C 3.3451 1.0921 0.2424 C.3 1 UNL1 0.0328 18 C 3.4823 -0.1120 1.1828 C.3 1 UNL1 -0.0534 19 C -0.4555 0.2872 0.0844 C.ar 1 UNL1 0.3169 20 C -1.0150 1.5785 -1.6770 C.ar 1 UNL1 0.1246 21 C -1.8412 0.1279 -0.2701 C.ar 1 UNL1 -0.2148 22 C -2.6077 -0.7738 0.5185 C.ar 1 UNL1 0.4506 23 C -0.6713 -1.2040 1.7908 C.ar 1 UNL1 0.3122 24 C -4.6886 -0.4807 -0.7702 C.3 1 UNL1 -0.0588 25 C -6.1111 -0.9250 -0.6545 C.2 1 UNL1 -0.3064 26 C -7.0576 -0.2292 -0.0074 C.2 1 UNL1 0.1301 27 C -6.7963 1.0660 0.6839 C.3 1 UNL1 -0.4714 28 C -8.4695 -0.7102 0.0487 C.3 1 UNL1 -0.4728 29 H 2.0388 4.7447 0.3531 H 1 UNL1 0.3420 30 H 4.0579 3.6179 -0.0676 H 1 UNL1 0.3283 31 H 2.9614 -0.8766 -1.7933 H 1 UNL1 0.3137 32 H 1.6224 -1.8073 0.1558 H 1 UNL1 0.3253 33 H -4.3772 -1.7180 0.9584 H 1 UNL1 0.3350 34 H 0.7549 2.8454 1.0531 H 1 UNL1 0.1534 35 H 2.8509 2.2419 2.0927 H 1 UNL1 0.1663 36 H 1.5475 2.3012 -1.8369 H 1 UNL1 0.1690 37 H 4.2669 1.2420 -0.3674 H 1 UNL1 0.1647 38 H 4.1472 0.1440 2.0420 H 1 UNL1 0.1470 39 H 2.4953 -0.4219 1.5882 H 1 UNL1 0.1661 40 H -0.8893 2.2969 -2.4726 H 1 UNL1 0.1996 41 H -0.2154 -1.7663 2.6268 H 1 UNL1 0.2043 42 H -4.2383 -0.8016 -1.7442 H 1 UNL1 0.1664 43 H -4.5889 0.6349 -0.7597 H 1 UNL1 0.1709 44 H -6.3339 -1.8662 -1.1502 H 1 UNL1 0.1598 45 H -5.8521 1.0501 1.2501 H 1 UNL1 0.1696 46 H -7.5871 1.3380 1.3952 H 1 UNL1 0.1550 47 H -6.7197 1.8901 -0.0430 H 1 UNL1 0.1671 48 H -8.6218 -1.6597 -0.4818 H 1 UNL1 0.1578 49 H -9.1558 0.0220 -0.4028 H 1 UNL1 0.1620 50 H -8.7993 -0.8648 1.0871 H 1 UNL1 0.1625 @BOND 1 40 20 1 2 36 16 1 3 6 31 1 4 6 1 1 5 42 24 1 6 20 10 ar 7 20 9 ar 8 10 21 ar 9 44 25 1 10 16 9 1 11 16 2 1 12 16 14 1 13 9 19 ar 14 24 43 1 15 24 25 1 16 24 12 1 17 2 17 1 18 25 26 2 19 48 28 1 20 49 28 1 21 37 17 1 22 1 8 2 23 1 7 1 24 1 5 1 25 3 14 1 26 3 29 1 27 21 19 ar 28 21 22 ar 29 30 4 1 30 47 27 1 31 26 28 1 32 26 27 1 33 28 50 1 34 19 11 ar 35 7 32 1 36 17 15 1 37 17 18 1 38 14 15 1 39 14 34 1 40 12 22 1 41 12 33 1 42 22 13 ar 43 5 18 1 44 27 45 1 45 27 46 1 46 4 15 1 47 15 35 1 48 11 23 ar 49 18 39 1 50 18 38 1 51 13 23 ar 52 23 41 1