@<TRIPOS>MOLECULE
DB04307
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4851    -2.7733     2.3499	O.3	1	noname	-0.2869
2	C1     2.7647    -2.2801     1.3202	C.2	1	noname	-0.0072
3	C2     2.8819    -0.8967     0.9806	C.2	1	noname	-0.0245
4	C3     1.8974    -3.1516     0.5883	C.2	1	noname	-0.0331
5	C4     2.0613    -0.4199    -0.0816	C.2	1	noname	-0.0408
6	C5     1.1153    -2.6701    -0.5082	C.2	1	noname	-0.0523
7	C6     1.2026    -1.2828    -0.8035	C.2	1	noname	-0.0595
8	C7     1.9125     0.9745    -0.5086	C.3	1	noname	0.0336
9	C8     0.4468    -0.5780    -1.8279	C.3	1	noname	0.0068
10	N1     3.0870     1.6041    -1.1393	N.3	1	noname	-0.2992
11	C9     0.7114     0.9030    -1.4801	C.3	1	noname	-0.0294
12	C10     2.7653     2.9838    -1.5003	C.3	1	noname	0.0579
13	C11     3.8503     3.5655    -2.0829	C.1	1	noname	-0.1006
14	C12     4.8014     4.0754    -2.5937	C.1	1	noname	-0.1092
15	H1     3.4663    -3.7327     2.3230	H	1	noname	0.2181
16	H2     3.5674    -0.2341     1.5088	H	1	noname	0.0653
17	H3     1.8314    -4.2021     0.8714	H	1	noname	0.0650
18	H4     0.4790    -3.3330    -1.0945	H	1	noname	0.0626
19	H5     1.8205     1.6042     0.3763	H	1	noname	0.0516
20	H6     0.9090    -0.8068    -2.7882	H	1	noname	0.0316
21	H7    -0.6078    -0.7997    -1.6641	H	1	noname	0.0316
22	H8     3.9784     1.1572    -1.3000	H	1	noname	0.1237
23	H9    -0.1613     1.2619    -0.9345	H	1	noname	0.0289
24	H10     1.0182     1.3959    -2.4026	H	1	noname	0.0289
25	H11     1.9970     2.9591    -2.2731	H	1	noname	0.0567
26	H12     2.5942     3.5414    -0.5795	H	1	noname	0.0567
27	H13     5.4783     4.4383    -1.8202	H	1	noname	0.1238
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	11	1
13	10	12	1
14	12	13	1
15	13	14	3
16	1	15	1
17	3	16	1
18	4	17	1
19	6	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	11	24	1
26	12	25	1
27	12	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1