@<TRIPOS>MOLECULE
DB03953
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.0722    -2.5592    -1.1425	S.3	1	noname	-0.0962
2	C1     3.2125    -1.4399    -0.1948	C.2	1	noname	-0.0572
3	N1     2.1238    -0.9392    -0.6302	N.2	1	noname	-0.2527
4	N2     3.6687    -1.0919     0.9829	N.3	1	noname	-0.1266
5	C2     1.4285    -0.0340     0.1364	C.3	1	noname	0.0414
6	C3     0.1694     0.4076    -0.6124	C.3	1	noname	-0.0314
7	C4    -0.6043     1.4149     0.2406	C.3	1	noname	-0.0266
8	C5    -1.8634     1.8565    -0.5081	C.3	1	noname	0.0913
9	N3    -2.6027     2.8190     0.3069	N.3	1	noname	-0.3194
10	C6    -2.7058     0.6936    -0.7718	C.2	1	noname	0.1437
11	O1    -2.9890     0.3809    -1.9485	O.2	1	noname	-0.2496
12	O2    -3.1789    -0.0440     0.2551	O.3	1	noname	-0.2140
13	H1     4.7174    -3.3991    -0.3547	H	1	noname	0.1104
14	H2     4.6602    -0.9577     1.1209	H	1	noname	0.1262
15	H3     3.0289    -0.9577     1.7528	H	1	noname	0.1262
16	H4     1.1275    -0.5908     1.0237	H	1	noname	0.0515
17	H5     2.0948     0.8234     0.2311	H	1	noname	0.0515
18	H6     0.5034     0.9402    -1.5028	H	1	noname	0.0286
19	H7    -0.4640    -0.4741    -0.7101	H	1	noname	0.0286
20	H8    -0.9383     0.8823     1.1311	H	1	noname	0.0288
21	H9     0.0291     2.2966     0.3384	H	1	noname	0.0288
22	H10    -1.6266     2.3275    -1.4622	H	1	noname	0.0571
23	H11    -2.1644     3.6843     0.5885	H	1	noname	0.1191
24	H12    -3.5518     2.6187     0.5885	H	1	noname	0.1191
25	H13    -3.0841    -0.9769     0.0494	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	8	10	1
10	10	11	2
11	10	12	1
12	1	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1