@<TRIPOS>MOLECULE
DB04769
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     5.5743     1.7688    -0.4667	S.3	1	noname	-0.0001
2	C1     6.5934     0.7124     0.6574	C.2	1	noname	0.0946
3	C2     4.1904     0.7385    -0.6375	C.2	1	noname	0.0769
4	O1     7.7921     0.7972     1.0015	O.2	1	noname	-0.2709
5	N1     5.5378    -0.2707     1.0237	N.3	1	noname	0.0903
6	C3     4.7372    -0.5270    -0.2254	C.2	1	noname	0.0780
7	C4     2.8783     1.0085    -0.7355	C.2	1	noname	0.0099
8	O2     4.5781    -1.6282    -0.7953	O.2	1	noname	-0.2830
9	C5     2.2915     2.2345    -0.5303	C.2	1	noname	-0.0326
10	C6     2.9041     3.4889    -0.8231	C.2	1	noname	0.0051
11	C7     1.2085     2.0669     0.3865	C.2	1	noname	-0.0369
12	C8     2.5396     4.5518     0.0266	C.2	1	noname	0.0605
13	C9     0.8138     3.1372     1.2118	C.2	1	noname	-0.0040
14	N2     3.1640     5.7678    -0.0100	N.2	1	noname	-0.2301
15	C10     1.5344     4.3367     1.0411	C.2	1	noname	0.0624
16	C11     2.8916     6.7857     0.8631	C.2	1	noname	0.0205
17	N3     1.2757     5.3680     1.8903	N.2	1	noname	-0.2322
18	C12     1.9033     6.5782     1.8558	C.2	1	noname	0.0223
19	H1     5.3939    -0.6809     1.9354	H	1	noname	0.1413
20	H2     2.2395     0.1666    -1.0024	H	1	noname	0.0642
21	H3     3.6069     3.6267    -1.6448	H	1	noname	0.0652
22	H4     0.6799     1.1162     0.4567	H	1	noname	0.0629
23	H5     0.0039     3.0433     1.9352	H	1	noname	0.0646
24	H6     3.4395     7.7236     0.7715	H	1	noname	0.0856
25	H7     1.6290     7.3408     2.5846	H	1	noname	0.0856
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	5	6	1
8	6	8	2
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	12	15	1
16	13	15	1
17	14	16	1
18	15	17	2
19	16	18	2
20	17	18	1
21	5	19	1
22	7	20	1
23	10	21	1
24	11	22	1
25	13	23	1
26	16	24	1
27	18	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1