@MOLECULE succinyladenosine 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C1* 3.2012 0.7102 -0.5946 C.3 1 UNL1 0.2391 2 C2* 4.2508 1.2926 0.3930 C.3 1 UNL1 0.0314 3 C3* 5.0176 0.0418 0.9104 C.3 1 UNL1 0.0394 4 C4* 4.5795 -1.1058 -0.0173 C.3 1 UNL1 0.0231 5 CA -4.1170 0.3092 0.1229 C.3 1 UNL1 0.0381 6 C 1.5388 0.1625 1.3218 C.ar 1 UNL1 0.1201 7 C -0.8452 1.2413 -2.2756 C.ar 1 UNL1 0.3064 8 CB -4.9901 -0.8716 0.5755 C.3 1 UNL1 -0.3675 9 C5* 3.9114 -2.2826 0.7012 C.3 1 UNL1 -0.0446 10 H -2.5766 -0.0366 1.5623 H 1 UNL1 0.3419 11 H2* 5.6264 1.6840 -0.9747 H 1 UNL1 0.3356 12 H3* 6.7142 1.0580 1.0407 H 1 UNL1 0.3332 13 H5* 3.1142 -2.9860 -0.9519 H 1 UNL1 0.3256 14 C -1.6865 0.5020 -0.2083 C.ar 1 UNL1 0.4632 15 OXT -4.1758 2.2827 1.5866 O.2 1 UNL1 -0.4716 16 OD1 -4.5066 -2.1607 -1.4374 O.2 1 UNL1 -0.4765 17 O2* 5.1070 2.1633 -0.2804 O.3 1 UNL1 -0.5082 18 O3* 6.4027 0.1817 0.7104 O.3 1 UNL1 -0.5307 19 O -5.8782 1.8719 0.1967 O.3 1 UNL1 -0.5578 20 OD2 -4.6587 -3.1847 0.5410 O.3 1 UNL1 -0.5631 21 O5* 3.6898 -3.3209 -0.2257 O.3 1 UNL1 -0.5185 22 C -4.6689 1.5925 0.7400 C.2 1 UNL1 0.5907 23 CG -4.6841 -2.0833 -0.2537 C.2 1 UNL1 0.6492 24 H -6.2771 2.7173 0.5233 H 1 UNL1 0.3610 25 HD2 -4.4458 -4.0204 0.0561 H 1 UNL1 0.3587 26 O4* 3.6393 -0.5765 -0.9529 O.3 1 UNL1 -0.4049 27 N 0.2251 0.0494 1.4804 N.ar 1 UNL1 -0.3192 28 N 0.4597 1.1699 -1.9433 N.ar 1 UNL1 -0.4925 29 N -1.9039 0.9433 -1.4790 N.ar 1 UNL1 -0.5632 30 N -2.7428 0.1117 0.5683 N.pl3 1 UNL1 -0.4778 31 C 0.6834 0.7521 -0.6732 C.ar 1 UNL1 0.3031 32 C -0.3508 0.4056 0.2627 C.ar 1 UNL1 -0.1961 33 N 1.8831 0.6117 0.0157 N.ar 1 UNL1 -0.3810 34 HA -4.1504 0.4028 -1.0147 H 1 UNL1 0.2416 35 H1* 3.1234 1.2706 -1.5679 H 1 UNL1 0.2033 36 H2* 3.8144 1.9280 1.1901 H 1 UNL1 0.1710 37 H 2.2823 -0.0261 2.0790 H 1 UNL1 0.1914 38 H3* 4.8404 -0.1569 1.9850 H 1 UNL1 0.1366 39 H4* 5.4226 -1.4622 -0.6607 H 1 UNL1 0.1868 40 HB1 -4.8578 -1.0901 1.6593 H 1 UNL1 0.1939 41 HB2 -6.0712 -0.6184 0.4519 H 1 UNL1 0.2023 42 H -1.0874 1.5813 -3.2988 H 1 UNL1 0.2059 43 H5*1 4.5805 -2.7413 1.4540 H 1 UNL1 0.1533 44 H5*2 2.9498 -2.0082 1.1691 H 1 UNL1 0.1275 @BOND 1 42 7 1 2 7 28 ar 3 7 29 ar 4 28 31 ar 5 35 1 1 6 29 14 ar 7 16 23 2 8 34 5 1 9 11 17 1 10 26 1 1 11 26 4 1 12 13 21 1 13 31 33 ar 14 31 32 ar 15 39 4 1 16 1 33 1 17 1 2 1 18 17 2 1 19 23 20 1 20 23 8 1 21 21 9 1 22 14 32 ar 23 14 30 1 24 4 9 1 25 4 3 1 26 33 6 ar 27 25 20 1 28 5 30 1 29 5 8 1 30 5 22 1 31 19 24 1 32 19 22 1 33 32 27 ar 34 2 3 1 35 2 36 1 36 41 8 1 37 30 10 1 38 8 40 1 39 9 44 1 40 9 43 1 41 18 3 1 42 18 12 1 43 22 15 2 44 3 38 1 45 6 27 ar 46 6 37 1