@<TRIPOS>MOLECULE
DB03670
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.6162     1.2762     0.2121	S.3	1	noname	-0.1717
2	C1     1.4225     2.3604     0.9491	C.2	1	noname	0.1098
3	C2     2.2515    -0.1875     1.1123	C.2	1	noname	0.0260
4	N1     1.2049     3.6559     0.6850	N.3	1	noname	-0.0845
5	C3     0.7607     1.5411     1.8733	C.2	1	noname	0.0557
6	C4     1.2093     0.2122     1.9712	C.2	1	noname	0.0271
7	C5     2.8916    -1.5327     1.1885	C.3	1	noname	0.0304
8	C6     2.2146     4.4344     0.2726	C.2	1	noname	0.1900
9	C7    -0.2861     2.0180     2.6537	C.2	1	noname	0.0992
10	C8     0.6685    -0.6623     3.0402	C.3	1	noname	0.0314
11	N2     2.9455    -1.8677     2.6407	N.3	1	noname	-0.3114
12	O1     2.0116     5.6430     0.0262	O.2	1	noname	-0.2370
13	C9     3.4877     3.8980     0.1188	C.2	1	noname	0.1753
14	O2    -1.0251     2.9279     2.2196	O.2	1	noname	-0.2565
15	O3    -0.5047     1.4984     3.8804	O.3	1	noname	-0.2169
16	C10     1.6211    -1.8519     3.3642	C.3	1	noname	-0.0003
17	O4     4.4296     4.6242    -0.2660	O.2	1	noname	-0.2255
18	O5     3.7069     2.5928     0.3849	O.3	1	noname	-0.1949
19	H1     0.2799     4.0457     0.7967	H	1	noname	0.1384
20	H2     2.2194    -2.2453     0.7105	H	1	noname	0.0487
21	H3     3.9177    -1.4301     0.8354	H	1	noname	0.0487
22	H4     0.6252    -0.0348     3.9304	H	1	noname	0.0329
23	H5    -0.2466    -1.0875     2.6281	H	1	noname	0.0329
24	H6     3.8166    -2.0893     3.1013	H	1	noname	0.1225
25	H7    -0.4954     0.5398     3.8282	H	1	noname	0.2216
26	H8     1.8837    -1.7465     4.4168	H	1	noname	0.0431
27	H9     1.1076    -2.7489     3.0178	H	1	noname	0.0431
28	H10     3.7293     2.4594     1.3353	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	1
9	5	6	1
10	6	10	1
11	7	11	1
12	8	12	2
13	8	13	1
14	9	14	2
15	9	15	1
16	10	16	1
17	11	16	1
18	13	17	2
19	13	18	1
20	4	19	1
21	7	20	1
22	7	21	1
23	10	22	1
24	10	23	1
25	11	24	1
26	15	25	1
27	16	26	1
28	16	27	1
29	18	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1