@<TRIPOS>MOLECULE
DB01802
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.0891     3.7621    -1.9241	N.3	1	noname	-0.3060
2	C1    -0.1090     2.5324    -1.1586	C.3	1	noname	0.0128
3	C2    -0.3318     4.9092    -1.1213	C.3	1	noname	-0.0133
4	C3     1.5036     3.9001    -2.2672	C.3	1	noname	-0.0133
5	C4    -1.6187     2.3852    -0.7924	C.3	1	noname	-0.0191
6	C5     0.4278     1.3083    -1.9855	C.3	1	noname	-0.0335
7	C6    -1.9195     1.0439    -0.2966	C.2	1	noname	-0.0816
8	C7     0.0779    -0.0654    -1.3280	C.3	1	noname	-0.0308
9	C8    -1.1632    -0.0462    -0.5495	C.2	1	noname	-0.0795
10	C9    -1.6134    -1.2915    -0.0097	C.3	1	noname	-0.0439
11	H1     0.4705     2.6384    -0.2415	H	1	noname	0.0470
12	H2    -0.2420     4.6644    -0.0629	H	1	noname	0.0394
13	H3     0.3019     5.7657    -1.3511	H	1	noname	0.0394
14	H4    -1.3691     5.1526    -1.3511	H	1	noname	0.0394
15	H5     2.0951     3.9578    -1.3535	H	1	noname	0.0394
16	H6     1.8215     3.0369    -2.8519	H	1	noname	0.0394
17	H7     1.6487     4.8085    -2.8519	H	1	noname	0.0394
18	H8    -1.8195     3.0509     0.0470	H	1	noname	0.0325
19	H9    -2.1913     2.4831    -1.7147	H	1	noname	0.0325
20	H10    -0.1027     1.3288    -2.9375	H	1	noname	0.0286
21	H11     1.5151     1.3818    -1.9658	H	1	noname	0.0286
22	H12    -2.7927     0.8364     0.3219	H	1	noname	0.0575
23	H13    -0.1164    -0.7679    -2.1384	H	1	noname	0.0313
24	H14     0.8580    -0.2785    -0.5973	H	1	noname	0.0313
25	H15    -1.5959    -1.2431     1.0791	H	1	noname	0.0276
26	H16    -2.6307    -1.4877    -0.3484	H	1	noname	0.0276
27	H17    -0.9568    -2.0929    -0.3484	H	1	noname	0.0276
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	1	4	1
4	2	5	1
5	2	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	8	9	1
10	9	10	1
11	2	11	1
12	3	12	1
13	3	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	4	17	1
18	5	18	1
19	5	19	1
20	6	20	1
21	6	21	1
22	7	22	1
23	8	23	1
24	8	24	1
25	10	25	1
26	10	26	1
27	10	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1