@<TRIPOS>MOLECULE
DB01898
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2075    -3.0384    -0.7114	O.2	1	noname	-0.2495
2	C1    -0.4742    -2.0133    -0.9277	C.2	1	noname	0.1438
3	O2    -1.8206    -2.0969    -0.9815	O.3	1	noname	-0.2139
4	C2     0.1855    -0.7254    -1.1223	C.3	1	noname	0.0943
5	N1    -0.1483    -0.2019    -2.4459	N.3	1	noname	-0.3192
6	C3    -0.2890     0.2578    -0.0503	C.3	1	noname	-0.0101
7	C4     0.4024     1.6073    -0.2542	C.3	1	noname	0.0380
8	C5     0.0604    -0.2902     1.3348	C.3	1	noname	-0.0600
9	C6    -0.0504     2.5456     0.7687	C.2	1	noname	0.1349
10	O3     0.3933     3.7140     0.7854	O.2	1	noname	-0.2558
11	O4    -0.9483     2.1511     1.6964	O.3	1	noname	-0.2188
12	H1    -2.1757    -2.1189    -0.0899	H	1	noname	0.2213
13	H2     1.2628    -0.8861    -1.0804	H	1	noname	0.0574
14	H3    -1.1117    -0.0210    -2.6892	H	1	noname	0.1191
15	H4     0.5845    -0.0210    -3.1170	H	1	noname	0.1191
16	H5    -1.3685     0.3871    -0.1282	H	1	noname	0.0326
17	H6     1.4679     1.4615    -0.0766	H	1	noname	0.0376
18	H7     0.0590     2.0127    -1.2059	H	1	noname	0.0376
19	H8     0.0533    -1.3798     1.3069	H	1	noname	0.0234
20	H9     1.0513     0.0595     1.6245	H	1	noname	0.0234
21	H10    -0.6746     0.0595     2.0598	H	1	noname	0.0234
22	H11    -0.5917     2.3078     2.5738	H	1	noname	0.2213
@<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	6	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	8	21	1
21	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1