@<TRIPOS>MOLECULE
90474765
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8886     0.2227     1.0850	O.3	1	noname	-0.2131
2	O2    -0.1020    -0.5766     2.1992	O.2	1	noname	-0.2484
3	N1    -0.4748     0.2294    -1.1601	N.3	1	noname	-0.3168
4	C1     0.3197     0.3093     0.0646	C.3	1	noname	0.1024
5	C2     1.5237    -0.6944     0.0246	C.3	1	noname	-0.0254
6	C3     0.6525     1.8419     0.1219	C.3	1	noname	-0.0254
7	C4     2.8622    -0.0906    -0.4964	C.3	1	noname	-0.0510
8	C5     2.0761     2.1811     0.6624	C.3	1	noname	-0.0510
9	C6     3.2412     1.3129     0.0840	C.3	1	noname	-0.0531
10	C7    -0.5668    -0.0380     1.1715	C.2	1	noname	0.1453
11	H1    -0.0968     2.3541     0.7255	H	1	noname	0.0291
12	H2     0.6338     2.1907    -0.9106	H	1	noname	0.0291
13	H3     1.2553    -1.5598    -0.5812	H	1	noname	0.0291
14	H4     1.7084    -0.9799     1.0603	H	1	noname	0.0291
15	H5     2.8382    -0.0392    -1.5849	H	1	noname	0.0267
16	H6     3.6717    -0.7906    -0.2899	H	1	noname	0.0267
17	H7     2.2887     3.2360     0.4893	H	1	noname	0.0267
18	H8     2.0458     1.9585     1.7290	H	1	noname	0.0267
19	H9     3.7801     1.8849    -0.6713	H	1	noname	0.0266
20	H10     3.9269     1.1628     0.9179	H	1	noname	0.0266
21	H11    -0.8431    -0.7180    -1.2661	H	1	noname	0.1194
22	H12    -1.2506     0.8926    -1.1067	H	1	noname	0.1194
23	H13    -2.4040     0.4163     1.8957	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	23	1
3	2	10	2
4	3	4	1
5	3	21	1
6	3	22	1
7	4	5	1
8	4	6	1
9	4	10	1
10	5	7	1
11	5	13	1
12	5	14	1
13	6	8	1
14	6	11	1
15	6	12	1
16	7	9	1
17	7	15	1
18	7	16	1
19	8	9	1
20	8	17	1
21	8	18	1
22	9	19	1
23	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1