@MOLECULE [(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-1h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.7079 -1.7879 -0.0412 P.3 1 UNL1 0.2811 2 O -3.9162 2.9976 -0.3431 O.3 1 UNL1 -0.5404 3 O -1.8815 -3.0815 0.4382 O.3 1 UNL1 -0.4306 4 O -1.7786 -1.2060 -1.2248 O.3 1 UNL1 -0.4614 5 O -4.0729 -2.0831 -0.4714 O.2 1 UNL1 -0.3421 6 O 5.3189 -1.1733 0.3278 O.2 1 UNL1 -0.4568 7 N -0.5082 1.6686 0.5008 N.3 1 UNL1 -0.5710 8 N 3.9840 1.5597 0.0858 N.ar 1 UNL1 -0.2342 9 N 1.3207 -0.7742 -0.3761 N.ar 1 UNL1 -0.4412 10 N 3.2539 -2.1250 0.0135 N.ar 1 UNL1 -0.5606 11 CA -1.9274 1.6545 0.1165 C.3 1 UNL1 0.0121 12 C -2.7179 0.8352 1.1642 C.3 1 UNL1 -0.2441 13 C -2.2475 -0.6372 1.2921 C.3 1 UNL1 -0.1479 14 C 0.3862 2.2846 -0.5118 C.3 1 UNL1 -0.0728 15 C -2.5528 3.0697 0.0148 C.3 1 UNL1 -0.0696 16 C 1.7506 1.7491 -0.2904 C.ar 1 UNL1 -0.1824 17 C 2.0867 0.3688 -0.2394 C.ar 1 UNL1 0.1466 18 C 3.4779 0.2727 -0.0015 C.ar 1 UNL1 -0.2179 19 C 2.9479 2.4541 -0.0854 C.ar 1 UNL1 -0.0517 20 C 4.1366 -1.0248 0.1313 C.ar 1 UNL1 0.5977 21 C 1.9733 -1.9901 -0.2055 C.ar 1 UNL1 0.3023 22 HA -1.9998 1.1691 -0.8958 H 1 UNL1 0.1640 23 H -3.8064 0.9237 0.9502 H 1 UNL1 0.1677 24 H -2.5952 1.3057 2.1636 H 1 UNL1 0.1405 25 H -0.3541 2.0721 1.4202 H 1 UNL1 0.2653 26 H -2.6562 -1.0694 2.2584 H 1 UNL1 0.1866 27 H -1.1154 -0.6403 1.3972 H 1 UNL1 0.2047 28 H 0.3778 3.3964 -0.4721 H 1 UNL1 0.1200 29 H 0.0340 2.0013 -1.5344 H 1 UNL1 0.1526 30 H1 -2.5665 3.6019 0.9818 H 1 UNL1 0.1388 31 H2 -2.0378 3.6925 -0.7372 H 1 UNL1 0.1203 32 H 3.1002 3.5173 -0.0582 H 1 UNL1 0.1726 33 H 4.9466 1.7719 0.2424 H 1 UNL1 0.3264 34 H 0.3142 -0.6929 -0.4882 H 1 UNL1 0.3568 35 H -4.0726 2.2645 -0.9750 H 1 UNL1 0.3192 36 H 1.3388 -2.8933 -0.2775 H 1 UNL1 0.1960 37 H -1.9839 -1.6557 -2.1057 H 1 UNL1 0.3255 38 H -2.2476 -3.9166 -0.0069 H 1 UNL1 0.3278 @BOND 1 37 4 1 2 29 14 1 3 4 1 1 4 35 2 1 5 22 11 1 6 31 15 1 7 14 28 1 8 14 16 1 9 14 7 1 10 34 9 1 11 5 1 2 12 9 17 ar 13 9 21 ar 14 2 15 1 15 16 17 ar 16 16 19 ar 17 36 21 1 18 17 18 ar 19 21 10 ar 20 19 32 1 21 19 8 ar 22 1 3 1 23 1 13 1 24 38 3 1 25 18 8 ar 26 18 20 ar 27 10 20 ar 28 15 11 1 29 15 30 1 30 8 33 1 31 11 7 1 32 11 12 1 33 20 6 2 34 7 25 1 35 23 12 1 36 12 13 1 37 12 24 1 38 13 27 1 39 13 26 1