@<TRIPOS>MOLECULE
DB03654
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1243     0.3655    -0.0895	S.3	1	noname	-0.0927
2	S2     0.3310     0.4230     0.9427	S.3	1	noname	-0.0933
3	C1     2.4701    -1.3264    -0.5976	C.3	1	noname	0.0257
4	C2    -0.9942    -0.1660    -0.1235	C.3	1	noname	0.0035
5	C3     3.7956    -1.3689    -1.3605	C.3	1	noname	0.0705
6	C4    -2.3197    -0.1235     0.6395	C.3	1	noname	-0.0462
7	N1     4.0765    -2.7431    -1.7732	N.3	1	noname	-0.3210
8	C5     4.8484    -0.9010    -0.5135	C.2	1	noname	0.1352
9	C6    -3.4461    -0.6242    -0.2668	C.3	1	noname	-0.0646
10	O1     5.5031     0.0763    -0.8372	O.2	1	noname	-0.2994
11	H1     2.6556    -1.9398     0.2842	H	1	noname	0.0409
12	H2     1.7328    -1.6420    -1.3357	H	1	noname	0.0409
13	H3    -1.1410     0.5375    -0.9430	H	1	noname	0.0389
14	H4    -0.8472    -1.2253    -0.3343	H	1	noname	0.0389
15	H5     3.7896    -0.7313    -2.2446	H	1	noname	0.0550
16	H6    -2.2342    -0.8373     1.4588	H	1	noname	0.0272
17	H7    -2.5280     0.9255     0.8501	H	1	noname	0.0272
18	H8     3.3166    -3.3929    -1.9157	H	1	noname	0.1191
19	H9     5.0305    -3.0425    -1.9157	H	1	noname	0.1191
20	H10     5.1730    -1.3160     0.4407	H	1	noname	0.1059
21	H11    -4.2699    -0.9903     0.3459	H	1	noname	0.0231
22	H12    -3.7970     0.1938    -0.8960	H	1	noname	0.0231
23	H13    -3.0740    -1.4327    -0.8960	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	8	10	2
10	3	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1