@<TRIPOS>MOLECULE
71587929
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.6747    -0.5389     0.7918	N.3	1	noname	-0.0994
2	N2     0.6853     0.7061     0.4778	N.2	1	noname	-0.2847
3	N3    -1.2876     1.9993     0.2721	N.3	1	noname	-0.1190
4	C1     3.4395     0.6149     1.0603	C.3	1	noname	0.0016
5	C2     2.2205    -1.0945     2.0055	C.3	1	noname	0.0016
6	C3     1.6228    -0.2102     0.0297	C.2	1	noname	0.0179
7	C4     3.9324     1.2178    -0.2567	C.3	1	noname	-0.0520
8	C5     1.3907    -2.3465     1.7142	C.3	1	noname	-0.0520
9	C6     1.4458    -0.8008    -1.2668	C.2	1	noname	-0.0707
10	C7     0.3014    -0.4066    -2.0296	C.2	1	noname	-0.0512
11	C8    -0.4307     1.1052    -0.2397	C.2	1	noname	0.0160
12	C9    -0.6516     0.5427    -1.5419	C.2	1	noname	-0.0721
13	H1     2.8237     1.3447     1.5860	H	1	noname	0.0432
14	H2     4.2952     0.3476     1.6803	H	1	noname	0.0432
15	H3     1.6048    -0.3647     2.5313	H	1	noname	0.0432
16	H4     3.0762    -1.3619     2.6255	H	1	noname	0.0432
17	H5     4.5236     2.1098    -0.0492	H	1	noname	0.0243
18	H6     3.0767     1.4852    -0.8767	H	1	noname	0.0243
19	H7     1.0395    -2.7760     2.6525	H	1	noname	0.0243
20	H8     0.5350    -2.0791     1.0942	H	1	noname	0.0243
21	H9     2.0064    -3.0763     1.1885	H	1	noname	0.0243
22	H10     4.5481     0.4881    -0.7825	H	1	noname	0.0243
23	H11     2.1140    -1.4794    -1.6321	H	1	noname	0.0656
24	H12     0.1600    -0.8163    -2.9529	H	1	noname	0.0624
25	H13    -1.4613     0.8109    -2.1011	H	1	noname	0.0655
26	H14    -0.9845     2.2702     1.1528	H	1	noname	0.1257
27	H15    -2.1685     1.5994     0.3421	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	1	6	1
4	2	6	1
5	2	11	2
6	3	11	1
7	3	26	1
8	3	27	1
9	4	7	1
10	4	13	1
11	4	14	1
12	5	8	1
13	5	15	1
14	5	16	1
15	6	9	2
16	7	17	1
17	7	18	1
18	7	22	1
19	8	19	1
20	8	20	1
21	8	21	1
22	9	10	1
23	9	23	1
24	10	12	2
25	10	24	1
26	11	12	1
27	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1