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284.mol2
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@<TRIPOS>MOLECULE
284
20 20 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N1 1.2300 -1.0240 -0.2210 nu 1 284 -0.798200
2 C2 0.0580 -1.7910 0.1590 c6 1 284 0.197800
3 C3 -1.2030 -1.0560 -0.2600 c6 1 284 -0.084400
4 C4 -1.2870 0.3160 0.4070 c6 1 284 0.007500
5 C7 -2.3890 1.1630 -0.2220 c3 1 284 -0.082100
6 C5 0.0500 1.0000 0.3110 c2 1 284 -0.382200
7 C6 1.1910 0.3380 0.0390 c2 1 284 0.268000
8 N7 2.4490 0.9350 0.0070 nv 1 284 -0.929000
9 H1 2.0950 -1.4550 0.0700 hn 1 284 0.453000
10 H21 0.1110 -2.7670 -0.3260 h1 1 284 0.034200
11 H22 0.0290 -1.9690 1.2420 h1 1 284 0.034200
12 H31 -1.2020 -0.9320 -1.3480 hc 1 284 0.047200
13 H32 -2.0760 -1.6610 -0.0080 hc 1 284 0.047200
14 H4 -1.5610 0.1600 1.4610 hc 1 284 0.042700
15 H71 -3.3610 0.6730 -0.1420 hc 1 284 0.031033
16 H72 -2.4690 2.1360 0.2670 hc 1 284 0.031033
17 H73 -2.1870 1.3400 -1.2800 hc 1 284 0.031033
18 H5 0.0930 2.0780 0.4280 ha 1 284 0.177000
19 H71A 3.0230 0.6100 -0.7590 hn 1 284 0.436000
20 H72A 2.4040 1.9430 -0.0110 hn 1 284 0.436000
@<TRIPOS>BOND
1 1 2 1
2 1 7 1
3 1 9 1
4 2 3 1
5 2 10 1
6 2 11 1
7 3 4 1
8 3 12 1
9 3 13 1
10 4 5 1
11 4 6 1
12 4 14 1
13 5 15 1
14 5 16 1
15 5 17 1
16 6 7 2
17 6 18 1
18 7 8 1
19 8 19 1
20 8 20 1
@<TRIPOS>SUBSTRUCTURE
1 284 1 TEMP 0 **** **** 0 ROOT