@<TRIPOS>MOLECULE
DB01438
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.4612    -0.4678    -0.4422	N.2	1	noname	-0.2709
2	C1     1.7475     0.0465    -0.4287	C.2	1	noname	0.0686
3	C2    -0.5854     0.0094     0.3299	C.2	1	noname	0.0277
4	N2     2.7008    -0.4782    -1.2106	N.3	1	noname	-0.1036
5	C3     2.0397     1.1522     0.4390	C.2	1	noname	-0.0140
6	N3    -1.8008    -0.5497     0.2531	N.3	1	noname	-0.1182
7	C4    -0.3432     1.1144     1.2138	C.2	1	noname	-0.0564
8	N4     3.2355     1.6724     0.4884	N.2	1	noname	-0.1717
9	C5     0.9768     1.6652     1.2479	C.2	1	noname	0.0027
10	N5     3.9519     1.6494    -0.4988	N.2	1	noname	-0.1725
11	C6     5.1478     2.1696    -0.4494	C.2	1	noname	0.0101
12	C7     5.9641     2.1435    -1.5742	C.2	1	noname	-0.0060
13	C8     5.6052     2.7499     0.7280	C.2	1	noname	-0.0060
14	C9     7.2378     2.6975    -1.5216	C.2	1	noname	-0.0446
15	C10     6.8789     3.3039     0.7806	C.2	1	noname	-0.0446
16	C11     7.6952     3.2778    -0.3442	C.2	1	noname	-0.0499
17	H1     2.6384    -1.4422    -1.5053	H	1	noname	0.1258
18	H2     3.4819     0.0904    -1.5053	H	1	noname	0.1258
19	H3    -2.6244     0.0342     0.2241	H	1	noname	0.1257
20	H4    -1.8932    -1.5550     0.2241	H	1	noname	0.1257
21	H5    -1.1368     1.5224     1.8397	H	1	noname	0.0656
22	H6     1.1798     2.5046     1.9130	H	1	noname	0.0648
23	H7     5.6054     1.6885    -2.4974	H	1	noname	0.0645
24	H8     4.9651     2.7704     1.6100	H	1	noname	0.0645
25	H9     7.8779     2.6770    -2.4036	H	1	noname	0.0623
26	H10     7.2376     3.7589     1.7038	H	1	noname	0.0623
27	H11     8.6940     3.7122    -0.3029	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	2
7	5	8	1
8	5	9	2
9	7	9	1
10	8	10	2
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	2
16	14	16	2
17	15	16	1
18	4	17	1
19	4	18	1
20	6	19	1
21	6	20	1
22	7	21	1
23	9	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	15	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1