@<TRIPOS>MOLECULE
92973651
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2618     0.2611     2.5504	O.2	1	noname	-0.2924
2	O2     1.4661     0.3135     6.7267	O.3	1	noname	-0.2752
3	N1    -3.0033    -1.3093     0.4262	N.3	1	noname	-0.2934
4	C1    -2.9799    -0.0439    -0.3465	C.3	1	noname	-0.0010
5	C2    -2.9459    -2.2398    -0.7320	C.3	1	noname	-0.0010
6	C3    -4.1167    -0.2626    -1.3448	C.3	1	noname	-0.0392
7	C4    -3.9565    -1.7338    -1.7580	C.3	1	noname	-0.0392
8	C5    -1.9221    -1.4713     1.4649	C.3	1	noname	0.0705
9	C6    -1.9271    -2.8479     2.2147	C.3	1	noname	-0.0420
10	C7    -2.1882    -0.3790     2.5409	C.2	1	noname	0.0972
11	C8    -1.1514    -0.1183     3.5423	C.2	1	noname	-0.0298
12	C9     0.2401    -0.4471     3.3570	C.2	1	noname	-0.0067
13	C10    -1.6551     0.3844     4.7737	C.2	1	noname	-0.0067
14	C11     1.1499    -0.3207     4.4387	C.2	1	noname	-0.0172
15	C12    -0.7618     0.5503     5.8740	C.2	1	noname	-0.0172
16	C13     0.6209     0.1811     5.6823	C.2	1	noname	0.0201
17	C14     1.4819    -0.8912     7.4784	C.3	1	noname	0.0423
18	H1    -3.2294     0.7883     0.3117	H	1	noname	0.0430
19	H2    -2.0165     0.0670    -0.8442	H	1	noname	0.0430
20	H3    -3.2280    -3.2415    -0.4076	H	1	noname	0.0430
21	H4    -1.9382    -2.2131    -1.1466	H	1	noname	0.0430
22	H5    -5.0738    -0.1290    -0.8405	H	1	noname	0.0280
23	H6    -4.0830     0.4254    -2.1895	H	1	noname	0.0280
24	H7    -4.9043    -2.2546    -1.6220	H	1	noname	0.0280
25	H8    -3.5568    -1.8673    -2.7633	H	1	noname	0.0280
26	H9    -0.9473    -1.3218     0.9786	H	1	noname	0.0550
27	H10    -1.1142    -2.8691     2.9406	H	1	noname	0.0251
28	H11    -2.8785    -2.9770     2.7308	H	1	noname	0.0251
29	H12    -1.7921    -3.6546     1.4943	H	1	noname	0.0251
30	H13     0.5708    -0.7707     2.4480	H	1	noname	0.0631
31	H14    -2.6422     0.6233     4.8691	H	1	noname	0.0631
32	H15     2.1332    -0.5735     4.3407	H	1	noname	0.0650
33	H16    -1.0895     0.9178     6.7673	H	1	noname	0.0650
34	H17     2.1643    -0.7843     8.3216	H	1	noname	0.0535
35	H18     0.4783    -1.1022     7.8477	H	1	noname	0.0535
36	H19     1.8152    -1.7116     6.8429	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	10	2
2	2	16	1
3	2	17	1
4	3	4	1
5	3	5	1
6	3	8	1
7	4	6	1
8	4	18	1
9	4	19	1
10	5	7	1
11	5	20	1
12	5	21	1
13	6	7	1
14	6	22	1
15	6	23	1
16	7	24	1
17	7	25	1
18	8	9	1
19	8	10	1
20	8	26	1
21	9	27	1
22	9	28	1
23	9	29	1
24	10	11	1
25	11	12	2
26	11	13	1
27	12	14	1
28	12	30	1
29	13	15	2
30	13	31	1
31	14	16	2
32	14	32	1
33	15	16	1
34	15	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1