@<TRIPOS>MOLECULE
DB03624
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.0597    -0.0977    -0.8307	O.2	1	noname	-0.2547
2	C1     3.8333    -0.1227    -0.5904	C.2	1	noname	0.0437
3	O2     3.1000     1.0051    -0.7043	O.3	1	noname	-0.2126
4	N1     3.2463    -1.2689    -0.2199	N.3	1	noname	-0.0364
5	C2     1.8629    -1.2970     0.0511	C.3	1	noname	0.0312
6	C3     1.1771    -2.2812    -0.8986	C.3	1	noname	0.0172
7	C4     1.6355    -1.7413     1.4974	C.3	1	noname	-0.0357
8	N2     1.3944    -1.8567    -2.2806	N.3	1	noname	-0.3265
9	C5     1.7651    -3.6792    -0.6961	C.3	1	noname	-0.0484
10	C6     0.1343    -1.7719     1.7915	C.3	1	noname	-0.0517
11	C7    -0.0931    -2.2162     3.2378	C.3	1	noname	-0.0527
12	C8    -1.5943    -2.2468     3.5319	C.3	1	noname	-0.0439
13	C9    -1.8217    -2.6911     4.9782	C.3	1	noname	0.0335
14	C10    -3.2542    -2.7203     5.2588	C.2	1	noname	0.1348
15	O3    -3.6625    -3.0585     6.3907	O.2	1	noname	-0.2559
16	O4    -4.1377    -2.3819     4.2958	O.3	1	noname	-0.2189
17	H1     2.8846     1.3365     0.1706	H	1	noname	0.2227
18	H2     3.8308    -2.0893    -0.1468	H	1	noname	0.1338
19	H3     1.5199    -0.2756    -0.1134	H	1	noname	0.0486
20	H4     0.0999    -2.2890    -0.7326	H	1	noname	0.0475
21	H5     1.9915    -2.7690     1.5706	H	1	noname	0.0283
22	H6     2.0654    -0.9690     2.1352	H	1	noname	0.0283
23	H7     0.6054    -1.7100    -2.8938	H	1	noname	0.1187
24	H8     2.3336    -1.7100    -2.6221	H	1	noname	0.1187
25	H9     1.8519    -3.8857     0.3706	H	1	noname	0.0247
26	H10     1.1107    -4.4189    -1.1573	H	1	noname	0.0247
27	H11     2.7514    -3.7288    -1.1573	H	1	noname	0.0247
28	H12    -0.2216    -0.7443     1.7184	H	1	noname	0.0267
29	H13    -0.2956    -2.5443     1.1538	H	1	noname	0.0267
30	H14     0.2629    -3.2439     3.3109	H	1	noname	0.0267
31	H15     0.3368    -1.4438     3.8755	H	1	noname	0.0267
32	H16    -1.9502    -1.2192     3.4587	H	1	noname	0.0272
33	H17    -2.0242    -3.0192     2.8941	H	1	noname	0.0272
34	H18    -1.4784    -3.7221     5.0637	H	1	noname	0.0372
35	H19    -1.4045    -1.9221     5.6283	H	1	noname	0.0372
36	H20    -4.5005    -3.1779     3.9003	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	4	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	13	14	1
14	14	15	2
15	14	16	1
16	3	17	1
17	4	18	1
18	5	19	1
19	6	20	1
20	7	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	25	1
25	9	26	1
26	9	27	1
27	10	28	1
28	10	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	13	34	1
34	13	35	1
35	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1