@MOLECULE guanosine triphosphate 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.1560 2.6432 0.5778 P.3 1 UNL1 0.3862 2 P -3.4554 0.6785 0.2186 P.3 1 UNL1 0.4238 3 P -2.1792 -1.2356 -1.8382 P.3 1 UNL1 0.3980 4 O 2.7079 1.1427 0.8757 O.3 1 UNL1 -0.4223 5 O 5.6528 1.0806 -0.5614 O.3 1 UNL1 -0.5137 6 O 4.1530 2.9927 -1.3768 O.3 1 UNL1 -0.5323 7 O 0.1285 1.6864 0.4357 O.3 1 UNL1 -0.3627 8 O -2.4204 1.8941 0.0636 O.3 1 UNL1 -0.1602 9 O -1.2453 2.4883 2.1671 O.3 1 UNL1 -0.3334 10 O -1.0875 3.9489 -0.0461 O.2 1 UNL1 -0.2551 11 O 0.1040 -4.6791 0.4513 O.2 1 UNL1 -0.3974 12 O -2.7756 -0.4589 -0.5876 O.3 1 UNL1 -0.3160 13 O -4.5814 1.3623 -0.6511 O.3 1 UNL1 -0.2495 14 O -3.8807 0.1966 1.5132 O.2 1 UNL1 -0.2166 15 O -0.6239 -0.9237 -1.7548 O.3 1 UNL1 -0.3715 16 O -2.4272 -2.6951 -1.2969 O.3 1 UNL1 -0.2609 17 O -2.7063 -0.9550 -3.1540 O.2 1 UNL1 -0.1962 18 N 3.0776 -1.1148 0.4338 N.ar 1 UNL1 -0.4048 19 N 0.8638 -0.7943 1.5598 N.ar 1 UNL1 -0.5238 20 N 2.8157 -3.3031 -0.1230 N.ar 1 UNL1 -0.2544 21 N -0.5963 -2.7102 1.3303 N.ar 1 UNL1 -0.6883 22 N -1.2538 -0.8478 2.6051 N.pl3 1 UNL1 -0.5469 23 C 4.3509 0.6440 -0.7948 C.3 1 UNL1 0.0340 24 C 3.4336 1.7836 -1.3188 C.3 1 UNL1 0.0377 25 C 3.6988 0.2039 0.5503 C.3 1 UNL1 0.2402 26 C 2.3684 1.9885 -0.2283 C.3 1 UNL1 0.0441 27 C 0.9589 1.6195 -0.7213 C.3 1 UNL1 -0.0269 28 C 1.8182 -1.5044 0.8649 C.ar 1 UNL1 0.2481 29 C 3.6607 -2.2772 -0.1549 C.ar 1 UNL1 0.0592 30 C 1.6579 -2.8622 0.4892 C.ar 1 UNL1 -0.1975 31 C 0.3855 -3.5450 0.7321 C.ar 1 UNL1 0.6154 32 C -0.3560 -1.4954 1.7809 C.ar 1 UNL1 0.5939 33 H 4.4796 -0.1842 -1.5239 H 1 UNL1 0.1730 34 H 3.0108 1.5607 -2.3192 H 1 UNL1 0.1464 35 H 4.4115 0.2151 1.4163 H 1 UNL1 0.1770 36 H 2.4118 3.0116 0.2162 H 1 UNL1 0.1851 37 H 0.9094 0.5533 -1.0355 H 1 UNL1 0.1479 38 H 0.6682 2.2508 -1.5864 H 1 UNL1 0.1545 39 H 5.6577 1.9636 -0.1106 H 1 UNL1 0.3386 40 H 4.8395 2.9501 -2.0832 H 1 UNL1 0.3316 41 H 4.6649 -2.2830 -0.5401 H 1 UNL1 0.1968 42 H 0.9454 0.2130 1.6696 H 1 UNL1 0.3613 43 H -0.5428 3.0998 2.5941 H 1 UNL1 0.3085 44 H -1.2216 0.1605 2.6458 H 1 UNL1 0.3136 45 H -2.2033 -1.2158 2.6138 H 1 UNL1 0.3334 46 H -4.1686 1.6825 -1.5472 H 1 UNL1 0.3250 47 H -0.2807 -0.9607 -0.7994 H 1 UNL1 0.3085 48 H -2.0898 -2.7653 -0.3100 H 1 UNL1 0.3487 @BOND 1 17 3 2 2 34 24 1 3 40 6 1 4 3 15 1 5 3 16 1 6 3 12 1 7 15 47 1 8 38 27 1 9 46 13 1 10 33 23 1 11 6 24 1 12 24 23 1 13 24 26 1 14 16 48 1 15 37 27 1 16 23 5 1 17 23 25 1 18 27 26 1 19 27 7 1 20 13 2 1 21 12 2 1 22 5 39 1 23 41 29 1 24 26 36 1 25 26 4 1 26 29 20 ar 27 29 18 ar 28 20 30 ar 29 10 1 2 30 8 2 1 31 8 1 1 32 2 14 2 33 18 25 1 34 18 28 ar 35 7 1 1 36 11 31 2 37 30 31 ar 38 30 28 ar 39 25 4 1 40 25 35 1 41 1 9 1 42 31 21 ar 43 28 19 ar 44 21 32 ar 45 19 42 1 46 19 32 ar 47 32 22 1 48 9 43 1 49 22 45 1 50 22 44 1