@<TRIPOS>MOLECULE
DB03731
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.0940    -0.1560    -0.2387	S.3	1	noname	-0.1621
2	C1     1.6729     0.0463     0.0394	C.3	1	noname	0.0180
3	C2    -0.8878     1.4594    -0.2536	C.3	1	noname	-0.0171
4	C3     2.3476    -1.3268     0.0521	C.3	1	noname	0.1004
5	C4    -2.3896     1.2875    -0.4900	C.3	1	noname	0.0487
6	N1     3.7827    -1.1626     0.2780	N.3	1	noname	-0.3187
7	C5     2.1295    -1.9881    -1.2312	C.2	1	noname	0.1441
8	B1    -3.1129     2.7593    -0.5035	B	1	noname	-0.2743
9	O1     1.5298    -3.0840    -1.2756	O.2	1	noname	-0.2494
10	O2     2.5755    -1.4161    -2.3697	O.3	1	noname	-0.2138
11	O3    -4.6147     2.5874    -0.7399	O.3	1	noname	-0.4161
12	O4    -2.8844     3.4523     0.8412	O.3	1	noname	-0.4161
13	O5    -2.5144     3.6114    -1.6246	O.3	1	noname	-0.4161
14	H1     2.1202     0.5500    -0.8174	H	1	noname	0.0401
15	H2     1.8407     0.4298     1.0458	H	1	noname	0.0401
16	H3    -0.8282     1.9027     0.7404	H	1	noname	0.0355
17	H4    -0.5487     2.0229    -1.1228	H	1	noname	0.0355
18	H5     1.9498    -1.9697     0.8373	H	1	noname	0.0580
19	H6    -2.4814     0.8587    -1.4879	H	1	noname	0.0087
20	H7    -2.7610     0.7385     0.3754	H	1	noname	0.0087
21	H8     4.3779    -1.9748     0.3560	H	1	noname	0.1192
22	H9     4.1789    -0.2368     0.3560	H	1	noname	0.1192
23	H10     2.8211    -2.1003    -2.9967	H	1	noname	0.2213
24	H11    -5.0678     2.5355     0.1048	H	1	noname	0.1620
25	H12    -2.7679     2.7903     1.5266	H	1	noname	0.1620
26	H13    -2.1519     3.0378    -2.3037	H	1	noname	0.1620
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	8	12	1
12	8	13	1
13	2	14	1
14	2	15	1
15	3	16	1
16	3	17	1
17	4	18	1
18	5	19	1
19	5	20	1
20	6	21	1
21	6	22	1
22	10	23	1
23	11	24	1
24	12	25	1
25	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1