@<TRIPOS>MOLECULE
DB04206
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6675    -3.5028     0.3802	O.2	1	noname	-0.2495
2	C1     3.9787    -2.3098     0.1741	C.2	1	noname	0.1439
3	O2     5.1447    -2.0124    -0.4377	O.3	1	noname	-0.2139
4	C2     3.0811    -1.2380     0.5951	C.3	1	noname	0.0954
5	N1     3.7704    -0.3721     1.5503	N.3	1	noname	-0.3191
6	C3     2.6594    -0.4172    -0.6253	C.3	1	noname	-0.0010
7	C4     1.7618     0.6546    -0.2043	C.2	1	noname	-0.0258
8	C5     0.3682     0.6173    -0.1062	C.2	1	noname	-0.0063
9	C6     2.1012     1.9524     0.1926	C.2	1	noname	-0.1085
10	C7    -0.0651     1.8645     0.3752	C.2	1	noname	0.0559
11	C8    -0.5737    -0.3788    -0.4812	C.2	1	noname	-0.0331
12	N2     1.0063     2.6585     0.5537	N.3	1	noname	-0.0430
13	N3    -1.4112     2.1324     0.5039	N.2	1	noname	-0.2573
14	C9    -1.9557    -0.0668    -0.3913	C.2	1	noname	-0.0570
15	C10    -2.3614     1.2123     0.1139	C.2	1	noname	-0.0090
16	H1     5.8186    -1.8406     0.2241	H	1	noname	0.2213
17	H2     2.2261    -1.6893     1.0985	H	1	noname	0.0575
18	H3     4.6928    -0.6178     1.8803	H	1	noname	0.1191
19	H4     3.3241     0.4717     1.8803	H	1	noname	0.1191
20	H5     3.5506     0.0742    -1.0155	H	1	noname	0.0338
21	H6     2.0684    -1.0669    -1.2708	H	1	noname	0.0338
22	H7     3.1085     2.3680     0.2178	H	1	noname	0.0792
23	H8    -0.2442    -1.3578    -0.8292	H	1	noname	0.0630
24	H9     0.9914     3.6088     0.8955	H	1	noname	0.1537
25	H10    -2.6971    -0.8011    -0.7065	H	1	noname	0.0639
26	H11    -3.4116     1.4902     0.2031	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	4	17	1
19	5	18	1
20	5	19	1
21	6	20	1
22	6	21	1
23	9	22	1
24	11	23	1
25	12	24	1
26	14	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1