@<TRIPOS>MOLECULE
DB00851
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1883    -0.7064     0.0112	O.2	1	noname	-0.2823
2	C1    -0.9665    -0.9569    -0.0721	C.2	1	noname	0.0568
3	N1    -0.5497    -2.2235    -0.2044	N.3	1	noname	-0.0752
4	C2    -0.0401     0.0785    -0.0273	C.2	1	noname	0.1048
5	N2     1.2914    -0.0514    -0.1054	N.2	1	noname	-0.1971
6	C3    -0.3315     1.4301     0.1062	C.2	1	noname	0.0339
7	C4     1.8281     1.1768    -0.0242	C.2	1	noname	-0.0224
8	N3    -1.5172     1.9646     0.2126	N.2	1	noname	-0.1441
9	N4     0.8423     2.0792     0.1045	N.3	1	noname	0.0130
10	N5    -1.6333     3.1739     0.3248	N.2	1	noname	-0.2247
11	N6    -2.8208     3.7093     0.4314	N.3	1	noname	-0.0431
12	C5    -2.6920     5.1606     0.5526	C.3	1	noname	0.0100
13	C6    -3.6089     3.3876    -0.7573	C.3	1	noname	0.0100
14	H1    -1.2235    -2.9743    -0.2542	H	1	noname	0.1275
15	H2     0.4383    -2.4275    -0.2542	H	1	noname	0.1275
16	H3     2.8934     1.4047    -0.0575	H	1	noname	0.1013
17	H4     0.9635     3.0785     0.1864	H	1	noname	0.1553
18	H5    -2.6676     5.4363     1.6069	H	1	noname	0.0415
19	H6    -1.7698     5.4850     0.0707	H	1	noname	0.0415
20	H7    -3.5427     5.6424     0.0707	H	1	noname	0.0415
21	H8    -3.6798     2.3052    -0.8643	H	1	noname	0.0415
22	H9    -4.6090     3.8089    -0.6552	H	1	noname	0.0415
23	H10    -3.1254     3.8089    -1.6387	H	1	noname	0.0415
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	2
7	6	8	1
8	6	9	1
9	7	9	1
10	8	10	2
11	10	11	1
12	11	12	1
13	11	13	1
14	3	14	1
15	3	15	1
16	7	16	1
17	9	17	1
18	12	18	1
19	12	19	1
20	12	20	1
21	13	21	1
22	13	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1