@<TRIPOS>MOLECULE
DB07161
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.7403     1.2340    -0.0639	N.2	1	noname	-0.3637
2	N2     1.3369    -0.0022    -0.1121	N.3	1	noname	-0.0625
3	C1     0.7163     2.1018     0.0926	C.2	1	noname	0.0492
4	C2     0.0076    -0.0204     0.0333	C.2	1	noname	-0.0557
5	N3     0.7881     3.4356     0.1996	N.3	1	noname	-0.1066
6	C3    -0.4213     1.3168     0.1186	C.2	1	noname	0.0214
7	C4    -0.8948    -1.1140     0.1240	C.2	1	noname	-0.0294
8	C5    -1.7959     1.6635     0.2175	C.2	1	noname	-0.0082
9	C6    -2.2824    -0.7814     0.2161	C.2	1	noname	-0.0350
10	C7    -2.7234     0.5807     0.2548	C.2	1	noname	-0.0292
11	C8    -4.0844     0.8531     0.3303	C.2	1	noname	-0.0408
12	C9    -5.0012    -0.1910     0.3675	C.2	1	noname	-0.0472
13	C10    -4.5285     2.1697     0.3687	C.2	1	noname	-0.0472
14	C11    -6.3621     0.0814     0.4430	C.2	1	noname	-0.0576
15	C12    -5.8895     2.4421     0.4442	C.2	1	noname	-0.0576
16	C13    -6.8063     1.3980     0.4813	C.2	1	noname	-0.0602
17	H1     1.9433    -0.7999    -0.2390	H	1	noname	0.1755
18	H2     1.6886     3.8912     0.2399	H	1	noname	0.1258
19	H3    -0.0582     3.9853     0.2399	H	1	noname	0.1258
20	H4    -0.5437    -2.1460     0.1231	H	1	noname	0.0643
21	H5    -2.1209     2.7030     0.2624	H	1	noname	0.0637
22	H6    -3.0195    -1.5833     0.2577	H	1	noname	0.0629
23	H7    -4.6529    -1.2234     0.3374	H	1	noname	0.0629
24	H8    -3.8096     2.9885     0.3395	H	1	noname	0.0629
25	H9    -7.0810    -0.7374     0.4721	H	1	noname	0.0622
26	H10    -6.2378     3.4745     0.4742	H	1	noname	0.0622
27	H11    -7.8735     1.6116     0.5405	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	6	2
8	6	8	1
9	7	9	2
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	12	14	1
16	13	15	2
17	14	16	2
18	15	16	1
19	2	17	1
20	5	18	1
21	5	19	1
22	7	20	1
23	8	21	1
24	9	22	1
25	12	23	1
26	13	24	1
27	14	25	1
28	15	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1