@MOLECULE 2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl 3-(3h-indol-3-yl)alaninate 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3715 2.3387 -0.6652 O.2 1 UNL1 0.0230 2 O -0.6384 1.3018 2.0595 O.2 1 UNL1 -0.2515 3 O 5.5301 0.9023 0.4187 O.2 1 UNL1 -0.3897 4 O 4.1882 -3.4448 -0.1223 O.2 1 UNL1 -0.3651 5 N -3.1440 -0.6523 -1.5915 N.pl3 1 UNL1 -0.0368 6 N -2.3889 4.2053 -0.5217 N.1 1 UNL1 0.0266 7 N 2.6288 1.6571 -0.1653 N.2 1 UNL1 -0.3273 8 N 0.9634 0.0141 -0.6038 N.2 1 UNL1 -0.3943 9 N 2.5381 -1.8743 -0.3860 N.2 1 UNL1 -0.3666 10 N 4.8999 -1.2816 0.1549 N.am 1 UNL1 -0.6998 11 C -2.1628 0.2538 0.5564 C.2 1 UNL1 -0.3179 12 C -1.1738 1.1654 1.0048 C.2 1 UNL1 0.4809 13 C -2.9159 -0.5379 1.4367 C.1 1 UNL1 0.1152 14 C -1.6431 3.3429 -0.3280 C.1 1 UNL1 -0.0428 15 C -2.5866 -0.0558 -0.7230 C.3 1 UNL1 0.3078 16 C -4.2350 -1.3692 -1.7413 C.2 1 UNL1 -0.0651 17 C -3.8247 -1.3119 1.7559 C.2 1 UNL1 -0.1127 18 C -0.7558 2.2598 -0.0612 C.3 1 UNL1 0.3276 19 C -5.0463 -2.0721 -1.1076 C.2 1 UNL1 0.1978 20 C -4.8256 -2.0788 1.2671 C.2 1 UNL1 0.1636 21 C -5.3322 -2.3893 0.1718 C.2 1 UNL1 -0.1251 22 C 1.2721 1.2672 -0.4657 C.1 1 UNL1 0.2999 23 C 3.2451 0.5150 -0.1051 C.3 1 UNL1 0.0371 24 C 2.2597 -0.6502 -0.3782 C.2 1 UNL1 0.2110 25 C 4.7170 0.0495 0.1906 C.2 1 UNL1 0.6194 26 C 4.0074 -2.2627 -0.0946 C.1 1 UNL1 0.6850 @BOND 1 16 5 1 2 16 19 2 3 5 15 1 4 19 21 1 5 15 11 1 6 1 22 1 7 1 18 1 8 8 22 2 9 8 24 2 10 6 14 3 11 22 7 2 12 9 24 1 13 9 26 2 14 24 23 1 15 14 18 1 16 7 23 1 17 4 26 2 18 23 25 1 19 26 10 am 20 18 12 1 21 10 25 am 22 21 20 2 23 25 3 2 24 11 12 1 25 11 13 2 26 12 2 2 27 20 17 1 28 13 17 2