@<TRIPOS>MOLECULE
DB02488
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4918     1.7674    -1.3531	O.2	1	noname	-0.2815
2	C1     0.3693     2.2919    -1.1874	C.2	1	noname	0.0654
3	N1    -0.5602     2.8259    -2.1711	N.3	1	noname	-0.0198
4	C2    -0.3559     2.5327     0.0214	C.2	1	noname	0.0980
5	C3    -1.1203     3.9644    -1.4390	C.3	1	noname	0.2411
6	C4    -0.8447     2.3711    -3.4751	C.3	1	noname	0.0666
7	N2    -1.1874     3.4834    -0.1557	N.2	1	noname	-0.2006
8	C5    -0.1757     1.8151     1.2451	C.3	1	noname	-0.0033
9	O2    -0.2104     5.0534    -1.4893	O.3	1	noname	-0.3553
10	C6    -2.4694     4.4365    -1.9848	C.3	1	noname	0.0961
11	C7    -1.3384     1.0304    -3.4152	C.2	1	noname	0.1330
12	C8    -1.1133     0.6063     1.2703	C.3	1	noname	-0.0414
13	N3    -2.9455     5.5701    -1.1937	N.3	1	noname	-0.3202
14	C9    -2.3072     4.8654    -3.4444	C.3	1	noname	0.0726
15	O3    -0.7429     0.1348    -3.9912	O.2	1	noname	-0.3005
16	C10    -0.9206    -0.1614     2.5796	C.3	1	noname	-0.0624
17	C11    -2.5634     1.0834     1.1676	C.3	1	noname	-0.0624
18	O4    -3.5594     5.3036    -3.9509	O.3	1	noname	-0.3914
19	C12    -1.8091     3.6791    -4.2723	C.3	1	noname	-0.0372
20	H1    -1.6569     2.9937    -3.8505	H	1	noname	0.0516
21	H2     0.1064     2.3375    -4.0063	H	1	noname	0.0516
22	H3     0.8490     1.4444     1.2194	H	1	noname	0.0336
23	H4    -0.4883     2.4987     2.0345	H	1	noname	0.0336
24	H5     0.0153     5.3234    -0.5961	H	1	noname	0.2146
25	H6    -3.2174     3.6486    -1.8960	H	1	noname	0.0556
26	H7    -2.2260     0.6675    -2.8969	H	1	noname	0.1055
27	H8    -0.8856    -0.0478     0.4287	H	1	noname	0.0301
28	H9    -2.3034     6.3003    -0.9204	H	1	noname	0.1189
29	H10    -3.9164     5.6230    -0.9204	H	1	noname	0.1189
30	H11    -1.6401     5.7226    -3.5356	H	1	noname	0.0616
31	H12    -0.9499    -1.2327     2.3804	H	1	noname	0.0233
32	H13     0.0432     0.1007     3.0160	H	1	noname	0.0233
33	H14    -1.7178     0.1007     3.2753	H	1	noname	0.0233
34	H15    -2.9733     1.2183     2.1685	H	1	noname	0.0233
35	H16    -2.5968     2.0314     0.6305	H	1	noname	0.0233
36	H17    -3.1532     0.3406     0.6305	H	1	noname	0.0233
37	H18    -4.1463     5.5089    -3.2195	H	1	noname	0.2104
38	H19    -1.4755     2.8847    -3.6046	H	1	noname	0.0257
39	H20    -2.6190     3.3091    -4.9010	H	1	noname	0.0257
40	H21    -0.9778     3.9983    -4.9010	H	1	noname	0.0257
@<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	2
7	4	8	1
8	5	9	1
9	5	10	1
10	5	7	1
11	6	11	1
12	8	12	1
13	10	13	1
14	10	14	1
15	11	15	2
16	12	16	1
17	12	17	1
18	14	18	1
19	14	19	1
20	6	20	1
21	6	21	1
22	8	22	1
23	8	23	1
24	9	24	1
25	10	25	1
26	11	26	1
27	12	27	1
28	13	28	1
29	13	29	1
30	14	30	1
31	16	31	1
32	16	32	1
33	16	33	1
34	17	34	1
35	17	35	1
36	17	36	1
37	18	37	1
38	19	38	1
39	19	39	1
40	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1