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20P.mol2
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@<TRIPOS>MOLECULE
20P
32 34 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 -5.3860 0.0590 -1.3100 ca 1 20P -0.106000
2 C2 -4.8410 1.2760 -0.9270 ca 1 20P -0.108500
3 C3 -3.7010 1.3110 -0.1370 ca 1 20P -0.103000
4 C4 -3.0860 0.1360 0.2900 ca 1 20P -0.058300
5 C5 -3.6440 -1.0810 -0.1010 ca 1 20P -0.103000
6 C6 -4.7810 -1.1190 -0.8930 ca 1 20P -0.108500
7 C7 -1.8710 0.2230 1.1350 cx 1 20P -0.041400
8 C9 -1.4940 -0.8370 2.1080 cx 1 20P -0.082400
9 C10 -0.6840 -0.6820 0.8570 cx 1 20P -0.245700
10 C12 0.6720 -0.0830 0.9570 c 1 20P 0.645100
11 O13 0.9560 0.7610 1.7840 o 1 20P -0.576100
12 N14 1.5510 -0.5670 0.0320 ns 1 20P -0.144000
13 C15 2.8770 -0.2190 -0.1900 ca 1 20P 0.021000
14 C16 3.5860 0.7430 0.5280 ca 1 20P -0.209500
15 C17 4.9020 0.9830 0.1710 ca 1 20P 0.356900
16 N18 5.5520 0.3630 -0.8030 nb 1 20P -0.682000
17 C19 4.8710 -0.5540 -1.4760 ca 1 20P 0.356900
18 C20 3.5530 -0.8800 -1.2170 ca 1 20P -0.209500
19 H1 -6.2750 0.0280 -1.9260 ha 1 20P 0.115000
20 H2 -5.3030 2.2030 -1.2420 ha 1 20P 0.114000
21 H3 -3.2850 2.2680 0.1530 ha 1 20P 0.111000
22 H4 -3.2000 -2.0180 0.2140 ha 1 20P 0.111000
23 H5 -5.1970 -2.0750 -1.1830 ha 1 20P 0.114000
24 H6 -1.5990 1.2320 1.4240 hc 1 20P 0.102700
25 H7 -1.0420 -0.5260 3.0400 hc 1 20P 0.086200
26 H8 -2.1180 -1.7180 2.1820 hc 1 20P 0.086200
27 H9 -0.8350 -1.4320 0.0880 hc 1 20P 0.090700
28 H10 1.1910 -1.2760 -0.5850 hn 1 20P 0.153000
29 H11 3.1440 1.2970 1.3380 ha 1 20P 0.136500
30 H12 5.4610 1.7320 0.7200 h4 1 20P 0.018100
31 H13 5.4010 -1.0650 -2.2710 h4 1 20P 0.018100
32 H14 3.0620 -1.6400 -1.8130 ha 1 20P 0.136500
@<TRIPOS>BOND
1 1 2 ar
2 1 6 ar
3 1 19 1
4 2 3 ar
5 2 20 1
6 3 4 ar
7 3 21 1
8 4 5 ar
9 4 7 1
10 5 6 ar
11 5 22 1
12 6 23 1
13 7 8 1
14 7 9 1
15 7 24 1
16 8 9 1
17 8 25 1
18 8 26 1
19 9 10 1
20 9 27 1
21 10 11 2
22 10 12 1
23 12 13 1
24 12 28 1
25 13 14 ar
26 13 18 ar
27 14 15 ar
28 14 29 1
29 15 16 ar
30 15 30 1
31 16 17 ar
32 17 18 ar
33 17 31 1
34 18 32 1
@<TRIPOS>SUBSTRUCTURE
1 20P 1 TEMP 0 **** **** 0 ROOT