@<TRIPOS>MOLECULE
DB01424
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1229    -0.8128     0.0707	O.2	1	noname	-0.2629
2	C1     1.3229     0.1463     0.1231	C.2	1	noname	0.1076
3	N1    -0.0106     0.0575     0.0337	N.3	1	noname	-0.1595
4	C2     1.6673     1.4773     0.2831	C.2	1	noname	-0.0107
5	N2    -0.5000     1.2504     0.1291	N.3	1	noname	-0.0093
6	C3    -0.7149    -1.0712    -0.1268	C.2	1	noname	-0.0126
7	N3     2.8985     1.9907     0.4108	N.3	1	noname	-0.1180
8	C4     0.4653     2.1631     0.2827	C.2	1	noname	-0.0413
9	C5    -1.8766     1.5509     0.0779	C.3	1	noname	0.0077
10	C6    -2.1018    -1.0198    -0.2047	C.2	1	noname	-0.0292
11	C7    -0.0586    -2.2933    -0.2153	C.2	1	noname	-0.0292
12	C8     3.4096     2.3090    -0.8642	C.3	1	noname	-0.0085
13	C9     3.7400     1.0451     1.0319	C.3	1	noname	-0.0085
14	C10     0.2857     3.6053     0.4228	C.3	1	noname	-0.0263
15	C11    -2.8323    -2.1906    -0.3712	C.2	1	noname	-0.0517
16	C12    -0.7891    -3.4640    -0.3817	C.2	1	noname	-0.0517
17	C13    -2.1760    -3.4127    -0.4597	C.2	1	noname	-0.0604
18	H1    -2.2679     1.6363     1.0917	H	1	noname	0.0413
19	H2    -2.0233     2.4938    -0.4488	H	1	noname	0.0413
20	H3    -2.4029     0.7548    -0.4488	H	1	noname	0.0413
21	H4    -2.6164    -0.0615    -0.1353	H	1	noname	0.0639
22	H5     1.0290    -2.3335    -0.1542	H	1	noname	0.0639
23	H6     3.6276     1.3898    -1.4080	H	1	noname	0.0398
24	H7     2.6720     2.8915    -1.4162	H	1	noname	0.0398
25	H8     4.3242     2.8915    -0.7540	H	1	noname	0.0398
26	H9     3.6559     1.1396     2.1145	H	1	noname	0.0398
27	H10     3.4425     0.0407     0.7306	H	1	noname	0.0398
28	H11     4.7721     1.2240     0.7306	H	1	noname	0.0398
29	H12     0.2532     3.8662     1.4806	H	1	noname	0.0291
30	H13     1.1181     4.1231    -0.0537	H	1	noname	0.0291
31	H14    -0.6483     3.9031    -0.0537	H	1	noname	0.0291
32	H15    -3.9198    -2.1504    -0.4323	H	1	noname	0.0623
33	H16    -0.2744    -4.4224    -0.4511	H	1	noname	0.0623
34	H17    -2.7489    -4.3308    -0.5902	H	1	noname	0.0622
@<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	2
8	5	9	1
9	5	8	1
10	6	10	2
11	6	11	1
12	7	12	1
13	7	13	1
14	8	14	1
15	10	15	1
16	11	16	2
17	15	17	2
18	16	17	1
19	9	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	12	24	1
26	12	25	1
27	13	26	1
28	13	27	1
29	13	28	1
30	14	29	1
31	14	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1