@<TRIPOS>MOLECULE
DB03835
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6403    -0.4902     0.9716	O.2	1	noname	-0.2520
2	C1     1.7996    -0.5630     0.0494	C.2	1	noname	0.1623
3	N1     1.8771    -1.2876    -1.1543	N.3	1	noname	0.1523
4	C2     0.4249     0.1169    -0.0509	C.3	1	noname	0.2683
5	N2     2.7253    -2.1802    -1.3968	N.2	1	noname	-0.1873
6	C3     0.9457    -0.9037    -1.9841	C.2	1	noname	0.0500
7	O2    -0.5080    -0.6757     0.7395	O.3	1	noname	-0.3353
8	N3     0.1485    -0.1078    -1.3854	N.2	1	noname	-0.1693
9	C4     0.4248     1.6686     0.1428	C.3	1	noname	0.1412
10	C5     3.1974    -2.8862    -0.4458	C.2	1	noname	0.0463
11	O3     0.8444    -1.2801    -3.2453	O.3	1	noname	-0.2390
12	C6    -0.8857    -0.2011     2.0515	C.3	1	noname	0.1127
13	O4     1.4994     2.0394     0.9939	O.3	1	noname	-0.3845
14	C7    -0.9075     2.1107     0.7760	C.3	1	noname	0.1138
15	O5     2.7940    -2.6783     0.7937	O.3	1	noname	-0.2581
16	C8     4.1638    -3.9034    -0.7220	C.3	1	noname	0.0014
17	C9    -1.3422     1.2875     2.0308	C.3	1	noname	0.1112
18	C10    -2.0151    -1.0732     2.6037	C.3	1	noname	0.0722
19	O6    -1.9358     2.0612    -0.2021	O.3	1	noname	-0.3873
20	O7    -0.8844     1.9393     3.2064	O.3	1	noname	-0.3874
21	O8    -1.5717    -2.4190     2.6966	O.3	1	noname	-0.3934
22	H1     0.6110     2.2022    -0.7892	H	1	noname	0.0686
23	H2     0.8405    -2.2389    -3.2938	H	1	noname	0.2210
24	H3     0.0253    -0.3082     2.6402	H	1	noname	0.0657
25	H4     1.2288     1.9460     1.9102	H	1	noname	0.2108
26	H5    -0.8035     3.1580     1.0598	H	1	noname	0.0658
27	H6     2.6520    -3.5216     1.2298	H	1	noname	0.2195
28	H7     4.5461    -4.3057     0.2162	H	1	noname	0.0317
29	H8     3.6959    -4.7029    -1.2963	H	1	noname	0.0317
30	H9     4.9862    -3.4768    -1.2963	H	1	noname	0.0317
31	H10    -2.4311     1.2984     2.0781	H	1	noname	0.0657
32	H11    -2.2126    -0.7607     3.6290	H	1	noname	0.0591
33	H12    -2.8228    -1.0831     1.8717	H	1	noname	0.0591
34	H13    -2.7902     2.0201     0.2337	H	1	noname	0.2106
35	H14    -0.6305     1.2821     3.8585	H	1	noname	0.2106
36	H15    -1.4903    -2.6660     3.6207	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	6	11	1
11	6	8	2
12	7	12	1
13	9	13	1
14	9	14	1
15	10	15	1
16	10	16	1
17	12	17	1
18	12	18	1
19	14	19	1
20	14	17	1
21	17	20	1
22	18	21	1
23	9	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
30	16	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1