@<TRIPOS>MOLECULE
76969019
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.4852     0.4760     0.4368	N.2	1	noname	-0.1535
2	N2     0.1218     0.7775    -2.5615	N.2	1	noname	-0.1562
3	N3    -1.7021     1.1264     1.4459	N.2	1	noname	-0.1737
4	N4     0.3386     0.1271    -3.5706	N.2	1	noname	-0.1748
5	N5    -2.6202     1.3195     3.4786	N.3	1	noname	-0.1217
6	N6    -2.8587    -0.5963     2.2865	N.3	1	noname	-0.1217
7	N7     1.2567    -0.0660    -5.6033	N.3	1	noname	-0.1218
8	N8     1.4952     1.8498    -4.4112	N.3	1	noname	-0.1218
9	C1    -0.7999     0.9813    -0.5123	C.2	1	noname	0.0878
10	C2    -0.2855     2.3103    -0.3938	C.3	1	noname	-0.0187
11	C3    -0.5636     0.2723    -1.6124	C.2	1	noname	0.0863
12	C4    -2.3874     0.6212     2.3950	C.2	1	noname	-0.1006
13	C5     1.0239     0.6324    -4.5197	C.2	1	noname	-0.1008
14	H1     0.3777     2.3676     0.4693	H	1	noname	0.0297
15	H2    -1.1116     3.0095    -0.2644	H	1	noname	0.0297
16	H3     0.2696     2.5668    -1.2962	H	1	noname	0.0297
17	H4    -0.9197    -0.6478    -1.6944	H	1	noname	0.0879
18	H5    -3.1514     0.7920     4.0954	H	1	noname	0.1268
19	H6    -3.1035     2.1275     3.2450	H	1	noname	0.1268
20	H7    -3.3526    -0.8245     3.0895	H	1	noname	0.1268
21	H8    -3.4488    -0.6473     1.5184	H	1	noname	0.1268
22	H9     1.7880     0.4616    -6.2200	H	1	noname	0.1268
23	H10     0.4147    -0.3027    -6.0226	H	1	noname	0.1268
24	H11     1.9892     2.0781    -5.2142	H	1	noname	0.1268
25	H12     0.7600     2.4721    -4.2960	H	1	noname	0.1268
@<TRIPOS>BOND
1	1	3	1
2	1	9	2
3	2	4	1
4	2	11	2
5	3	12	2
6	4	13	2
7	5	12	1
8	5	18	1
9	5	19	1
10	6	12	1
11	6	20	1
12	6	21	1
13	7	13	1
14	7	22	1
15	7	23	1
16	8	13	1
17	8	24	1
18	8	25	1
19	9	10	1
20	9	11	1
21	10	14	1
22	10	15	1
23	10	16	1
24	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1