@<TRIPOS>MOLECULE
DB00865
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.8237    -1.9381    -0.6154	N.3	1	noname	-0.2990
2	C1    -3.1709    -1.6736    -1.1181	C.3	1	noname	0.0109
3	C2    -1.4738    -0.9370     0.3909	C.3	1	noname	0.0234
4	C3    -0.8694    -1.8721    -1.7210	C.3	1	noname	-0.0127
5	C4    -3.5371    -2.7212    -2.1713	C.3	1	noname	0.0147
6	C5    -3.2157    -0.2800    -1.7480	C.3	1	noname	-0.0492
7	C6    -0.1285    -1.2012     0.8929	C.2	1	noname	-0.0487
8	C7    -3.4944    -4.0511    -1.5702	C.2	1	noname	-0.0568
9	C8     0.0523    -2.0317     1.9927	C.2	1	noname	-0.0531
10	C9     0.9716    -0.6222     0.2709	C.2	1	noname	-0.0531
11	C10    -3.7921    -5.1708    -2.3382	C.2	1	noname	-0.0634
12	C11    -3.1559    -4.1975    -0.2300	C.2	1	noname	-0.0634
13	C12     1.3331    -2.2832     2.4706	C.2	1	noname	-0.0595
14	C13     2.2524    -0.8737     0.7488	C.2	1	noname	-0.0595
15	C14    -3.7514    -6.4369    -1.7660	C.2	1	noname	-0.0629
16	C15    -3.1152    -5.4636     0.3422	C.2	1	noname	-0.0629
17	C16     2.4331    -1.7042     1.8487	C.2	1	noname	-0.0613
18	C17    -3.4130    -6.5833    -0.4258	C.2	1	noname	-0.0681
19	H1    -3.8472    -1.7324    -0.2653	H	1	noname	0.0467
20	H2    -1.4349     0.0244    -0.1212	H	1	noname	0.0481
21	H3    -2.1557    -1.0809     1.2290	H	1	noname	0.0481
22	H4    -0.6019    -2.8823    -2.0309	H	1	noname	0.0394
23	H5    -1.3210    -1.3424    -2.5597	H	1	noname	0.0394
24	H6     0.0263    -1.3424    -1.3966	H	1	noname	0.0394
25	H7    -4.5762    -2.5537    -2.4548	H	1	noname	0.0332
26	H8    -2.7562    -2.7107    -2.9316	H	1	noname	0.0332
27	H9    -3.2399     0.4738    -0.9610	H	1	noname	0.0246
28	H10    -2.3300    -0.1318    -2.3658	H	1	noname	0.0246
29	H11    -4.1090    -0.1890    -2.3658	H	1	noname	0.0246
30	H12    -0.8103    -2.4857     2.4805	H	1	noname	0.0626
31	H13     0.8298     0.0291    -0.5915	H	1	noname	0.0626
32	H14    -4.0575    -5.0560    -3.3891	H	1	noname	0.0625
33	H15    -2.9224    -3.3195     0.3722	H	1	noname	0.0625
34	H16     1.4749    -2.9344     3.3331	H	1	noname	0.0622
35	H17     3.1150    -0.4197     0.2611	H	1	noname	0.0622
36	H18    -3.9849    -7.3149    -2.3682	H	1	noname	0.0622
37	H19    -2.8498    -5.5784     1.3931	H	1	noname	0.0622
38	H20     3.4375    -1.9014     2.2235	H	1	noname	0.0622
39	H21    -3.3811    -7.5761     0.0230	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	1	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	5	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	14	2
14	11	15	1
15	12	16	2
16	13	17	2
17	14	17	1
18	15	18	2
19	16	18	1
20	2	19	1
21	3	20	1
22	3	21	1
23	4	22	1
24	4	23	1
25	4	24	1
26	5	25	1
27	5	26	1
28	6	27	1
29	6	28	1
30	6	29	1
31	9	30	1
32	10	31	1
33	11	32	1
34	12	33	1
35	13	34	1
36	14	35	1
37	15	36	1
38	16	37	1
39	17	38	1
40	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1