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@<TRIPOS>MOLECULE
1a4g_ZMR_B_1
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SMALL
GASTEIGER
@<TRIPOS>ATOM
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2 C 31.3610 35.9020 -26.8420 C.cat 1 UNL1 0.5348
3 N 30.2720 35.1530 -26.9660 N.pl3 1 UNL1 0.1354
4 N 32.2000 35.7130 -25.8180 N.pl3 1 UNL1 0.1354
5 C 29.5970 40.0010 -30.9350 C.2 1 UNL1 0.4208
6 O 29.6760 40.4360 -32.1910 O.co2 1 UNL1 -0.2371
7 O 28.9740 40.5490 -30.0840 O.co2 1 UNL1 -0.2371
8 C 30.2980 38.7360 -30.6390 C.2 1 UNL1 0.2172
9 C 30.2460 38.2330 -29.3870 C.2 1 UNL1 0.0619
10 C 30.9500 36.9580 -29.0430 C.3 1 UNL1 0.2297
11 C 31.9240 36.5490 -30.1200 C.3 1 UNL1 0.1816
12 N 32.1080 35.1260 -29.9050 N.am 1 UNL1 -0.1994
13 C 31.2960 36.7770 -31.4810 C.3 1 UNL1 0.2224
14 O 30.9500 38.1280 -31.6480 O.2 1 UNL1 -0.4683
15 C 32.1690 36.2990 -32.6490 C.3 1 UNL1 0.2262
16 O 33.3870 37.0330 -32.7330 O.3 1 UNL1 -0.2164
17 C 31.4560 36.3720 -33.9960 C.3 1 UNL1 0.2185
18 O 30.2830 35.5860 -33.8940 O.3 1 UNL1 -0.2174
19 C 32.3060 35.9010 -35.1940 C.3 1 UNL1 0.2175
20 O 32.5630 34.5010 -35.1610 O.3 1 UNL1 -0.2175
21 C 33.2620 34.5830 -29.5770 C.2 1 UNL1 0.2420
22 O 34.2630 35.2350 -29.3330 O.2 1 UNL1 -0.2733
23 C 33.3330 33.0730 -29.6850 C.3 1 UNL1 0.0964
@<TRIPOS>BOND
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