@<TRIPOS>MOLECULE
DB01087
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4733     1.3162    -0.3312	O.3	1	noname	-0.2765
2	C1     2.1518     1.4464    -0.5742	C.2	1	noname	0.0060
3	C2     3.7017     0.1349     0.4230	C.3	1	noname	0.0423
4	C3     1.3341     2.1669     0.3617	C.2	1	noname	-0.0140
5	C4     1.6006     0.8662    -1.7528	C.2	1	noname	-0.0251
6	C5    -0.0668     2.3339     0.1530	C.2	1	noname	0.0219
7	C6     0.2080     1.0309    -1.9623	C.2	1	noname	0.0179
8	N1    -0.8287     3.0061     1.0266	N.3	1	noname	-0.1284
9	C7    -0.6208     1.7546    -1.0248	C.2	1	noname	-0.0020
10	C8    -0.3821     0.4718    -3.1186	C.2	1	noname	-0.0562
11	C9    -1.3293     2.1143     1.9973	C.3	1	noname	0.0086
12	N2    -1.9559     1.8859    -1.2709	N.2	1	noname	-0.2469
13	C10    -1.7722     0.6295    -3.3391	C.2	1	noname	-0.0355
14	C11    -2.1992     2.8818     2.9948	C.3	1	noname	-0.0365
15	C12    -0.1619     1.4586     2.7377	C.3	1	noname	-0.0494
16	C13    -2.5425     1.3503    -2.3860	C.2	1	noname	-0.0355
17	C14    -3.3666     3.5375     2.2544	C.3	1	noname	-0.0394
18	C15    -4.2366     4.3051     3.2518	C.3	1	noname	-0.0076
19	N3    -5.3521     4.9316     2.5444	N.3	1	noname	-0.3304
20	H1     3.6565     0.3685     1.4867	H	1	noname	0.0535
21	H2     2.9382    -0.6043     0.1806	H	1	noname	0.0535
22	H3     4.6858    -0.2664     0.1806	H	1	noname	0.0535
23	H4     1.7885     2.5983     1.2536	H	1	noname	0.0667
24	H5     2.2188     0.3190    -2.4646	H	1	noname	0.0657
25	H6    -0.9949     4.0004     0.9649	H	1	noname	0.1285
26	H7     0.2299    -0.0766    -3.8347	H	1	noname	0.0630
27	H8    -1.9114     1.3821     1.4377	H	1	noname	0.0465
28	H9    -2.2407     0.2038    -4.2264	H	1	noname	0.0638
29	H10    -2.6302     2.1428     3.6702	H	1	noname	0.0283
30	H11    -1.5847     3.6899     3.3916	H	1	noname	0.0283
31	H12    -0.3183     1.5465     3.8129	H	1	noname	0.0246
32	H13    -0.1037     0.4052     2.4639	H	1	noname	0.0246
33	H14     0.7680     1.9571     2.4639	H	1	noname	0.0246
34	H15    -3.6150     1.4967    -2.5141	H	1	noname	0.0839
35	H16    -2.9356     4.2765     1.5790	H	1	noname	0.0280
36	H17    -3.9812     2.7294     1.8576	H	1	noname	0.0280
37	H18    -4.6819     3.5760     3.9288	H	1	noname	0.0425
38	H19    -3.6363     5.1231     3.6502	H	1	noname	0.0425
39	H20    -5.3091     5.9106     2.3000	H	1	noname	0.1184
40	H21    -6.1657     4.3853     2.3000	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	4	6	2
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	2
10	7	9	1
11	11	8	1
12	9	12	2
13	10	13	1
14	11	14	1
15	11	15	1
16	12	16	1
17	13	16	2
18	14	17	1
19	17	18	1
20	18	19	1
21	3	20	1
22	3	21	1
23	3	22	1
24	4	23	1
25	5	24	1
26	8	25	1
27	10	26	1
28	11	27	1
29	13	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	15	33	1
35	16	34	1
36	17	35	1
37	17	36	1
38	18	37	1
39	18	38	1
40	19	39	1
41	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1