@<TRIPOS>MOLECULE
DB03881
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     5.1961    -0.7028    -2.1644	S.3	1	noname	-0.1636
2	C1     3.5197    -1.3390    -2.0071	C.3	1	noname	0.0111
3	C2     5.4441    -0.0708    -3.8315	C.3	1	noname	-0.0183
4	C3     3.3089    -1.8762    -0.5901	C.3	1	noname	0.0452
5	N1     3.5133    -0.7988     0.3744	N.3	1	noname	-0.3011
6	C4     1.8506    -2.3210    -0.4237	C.3	1	noname	0.0979
7	C5     2.7206    -1.2738     1.4971	C.3	1	noname	0.0698
8	O1     1.7983    -3.7345    -0.2975	O.3	1	noname	-0.3886
9	C6     1.3839    -1.6734     0.8854	C.3	1	noname	0.1013
10	C7     2.6311    -0.2378     2.5287	C.2	1	noname	0.0708
11	O2     0.7631    -2.6540     1.7036	O.3	1	noname	-0.3882
12	C8     2.1340     1.0496     2.3709	C.2	1	noname	0.1013
13	C9     3.1115    -0.3581     3.8278	C.2	1	noname	0.0395
14	N2     1.5695     1.6600     1.2878	N.2	1	noname	-0.2061
15	C10     2.3247     1.6652     3.6056	C.2	1	noname	0.1129
16	N3     2.9075     0.8211     4.4713	N.4	1	noname	0.0548
17	C11     1.1489     2.9583     1.4166	C.2	1	noname	0.0748
18	C12     1.8896     3.0071     3.7302	C.2	1	noname	0.1338
19	N4     1.3206     3.5863     2.6240	N.2	1	noname	-0.1767
20	O3     2.0286     3.6875     4.8879	O.3	1	noname	-0.2289
21	H1     2.8099    -0.5153    -2.0832	H	1	noname	0.0397
22	H2     3.4039    -2.2184    -2.6406	H	1	noname	0.0397
23	H3     5.5472    -0.9054    -4.5249	H	1	noname	0.0343
24	H4     4.5873     0.5379    -4.1205	H	1	noname	0.0343
25	H5     6.3479     0.5379    -3.8586	H	1	noname	0.0343
26	H6     4.0226    -2.6765    -0.3944	H	1	noname	0.0501
27	H7     4.0570     0.0479     0.2880	H	1	noname	0.1233
28	H8     1.2150    -2.1039    -1.2822	H	1	noname	0.0645
29	H9     3.1936    -2.1037     2.0221	H	1	noname	0.0547
30	H10     1.7895    -3.9726     0.6325	H	1	noname	0.2106
31	H11     0.6298    -0.8901     0.8082	H	1	noname	0.0648
32	H12     0.9021    -2.4344     2.6277	H	1	noname	0.2106
33	H13     3.5752    -1.2388     4.2722	H	1	noname	0.1303
34	H14     2.2400     0.6496     5.2096	H	1	noname	0.2703
35	H15     3.8155     1.2053     4.6907	H	1	noname	0.2703
36	H16     0.6882     3.4796     0.5775	H	1	noname	0.1062
37	H17     2.1160     3.0670     5.6152	H	1	noname	0.2201
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	9	11	1
12	10	12	1
13	10	13	2
14	12	14	2
15	12	15	1
16	13	16	1
17	14	17	1
18	15	18	2
19	15	16	1
20	17	19	2
21	18	20	1
22	18	19	1
23	2	21	1
24	2	22	1
25	3	23	1
26	3	24	1
27	3	25	1
28	4	26	1
29	5	27	1
30	6	28	1
31	7	29	1
32	8	30	1
33	9	31	1
34	11	32	1
35	13	33	1
36	16	34	1
37	16	35	1
38	17	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1