@<TRIPOS>MOLECULE
DB01472
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7472    -1.1237     0.1379	O.3	1	noname	-0.2783
2	C1    -0.0979     0.0577     0.2100	C.2	1	noname	-0.0068
3	C2    -1.3620    -1.2491    -1.1359	C.3	1	noname	0.0423
4	C3     1.2327     0.1445    -0.1825	C.2	1	noname	-0.0318
5	C4    -0.7600     1.1873     0.6766	C.2	1	noname	-0.0318
6	C5     1.9012     1.3609    -0.1083	C.2	1	noname	-0.0528
7	C6    -0.0915     2.4037     0.7507	C.2	1	noname	-0.0528
8	C7     1.2391     2.4905     0.3583	C.2	1	noname	-0.0674
9	C8     1.9413     3.7682     0.4362	C.3	1	noname	0.0124
10	C9     1.7695     4.5258    -0.8820	C.3	1	noname	0.0052
11	N1     2.4726     5.8052    -0.8040	N.3	1	noname	-0.3276
12	C10     2.3496     3.6940    -2.0276	C.3	1	noname	-0.0497
13	H1    -1.4798    -2.3048    -1.3802	H	1	noname	0.0535
14	H2    -2.3405    -0.7693    -1.1159	H	1	noname	0.0535
15	H3    -0.7375    -0.7693    -1.8895	H	1	noname	0.0535
16	H4     1.7519    -0.7413    -0.5484	H	1	noname	0.0650
17	H5    -1.8035     1.1192     0.9843	H	1	noname	0.0650
18	H6     2.9446     1.4290    -0.4161	H	1	noname	0.0626
19	H7    -0.6107     3.2895     1.1166	H	1	noname	0.0626
20	H8     1.4357     4.3412     1.2135	H	1	noname	0.0331
21	H9     2.9984     3.5235     0.5398	H	1	noname	0.0331
22	H10     0.7182     4.7497    -1.0630	H	1	noname	0.0462
23	H11     3.4820     5.8259    -0.7770	H	1	noname	0.1186
24	H12     1.9489     6.6684    -0.7770	H	1	noname	0.1186
25	H13     2.2350     2.6340    -1.8013	H	1	noname	0.0246
26	H14     1.8196     3.9278    -2.9510	H	1	noname	0.0246
27	H15     3.4076     3.9278    -2.1468	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	10	12	1
13	3	13	1
14	3	14	1
15	3	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	11	24	1
25	12	25	1
26	12	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1