@<TRIPOS>MOLECULE
57588528
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.2906     0.7147    -0.9651	S.3	1	noname	-0.0415
2	S2    -5.4469     2.4567    -2.1720	S.3	1	noname	-0.0669
3	S3    -2.8499     0.0569     0.7437	S.2	1	noname	-0.1085
4	O1     2.6626     2.4405    -1.7874	O.3	1	noname	-0.1495
5	O2     4.8953     1.6254    -1.4040	O.3	1	noname	-0.2809
6	O3     2.3487     4.0539    -3.3271	O.2	1	noname	-0.2517
7	N1     6.8065     5.0788    -5.1910	N.3	1	noname	-0.1565
8	C1    -1.5018     2.3142    -1.0300	C.2	1	noname	-0.0399
9	C2     1.3425     2.4102    -1.5063	C.2	1	noname	0.0135
10	C3    -2.9743     2.1598    -1.0475	C.2	1	noname	0.0199
11	C4    -0.8333     3.5527    -1.4091	C.2	1	noname	-0.0277
12	C5    -0.6481     1.1504    -0.8227	C.2	1	noname	-0.0277
13	C6     4.4934     3.3240    -3.0115	C.2	1	noname	0.0175
14	C7     0.5779     3.6117    -1.6596	C.2	1	noname	-0.0120
15	C8     0.7606     1.1785    -1.0663	C.2	1	noname	-0.0120
16	C9     4.9791     4.2016    -3.9738	C.2	1	noname	-0.0063
17	C10     5.3669     2.4777    -2.3386	C.2	1	noname	0.0145
18	C11     6.3383     4.2328    -4.2633	C.2	1	noname	-0.0304
19	C12     3.1343     3.2928    -2.7220	C.2	1	noname	0.1122
20	C13     6.7261     2.5089    -2.6281	C.2	1	noname	-0.0187
21	C14     7.2118     3.3865    -3.5904	C.2	1	noname	-0.0344
22	C15    -3.6358     1.0409    -0.4424	C.2	1	noname	0.0808
23	C16    -3.8009     3.0146    -1.8501	C.2	1	noname	0.0185
24	H1    -1.3866     4.4048    -1.4992	H	1	noname	0.0630
25	H2    -1.0718     0.2836    -0.4915	H	1	noname	0.0630
26	H3     1.0245     4.4850    -1.9392	H	1	noname	0.0650
27	H4     1.3338     0.3458    -0.9306	H	1	noname	0.0650
28	H5     4.3381     4.8227    -4.4676	H	1	noname	0.0648
29	H6     7.3671     1.8878    -2.1343	H	1	noname	0.0650
30	H7     8.2092     3.4094    -3.8028	H	1	noname	0.0640
31	H8    -3.4555     3.9014    -2.2171	H	1	noname	0.0713
32	H9     6.0713     5.5926    -5.5605	H	1	noname	0.1242
33	H10     7.2375     4.5756    -5.8994	H	1	noname	0.1242
34	H11     5.6380     1.1063    -1.0307	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	2	1
2	1	22	1
3	2	23	1
4	3	22	2
5	4	9	1
6	4	19	1
7	5	17	1
8	5	34	1
9	6	19	2
10	7	18	1
11	7	32	1
12	7	33	1
13	8	10	1
14	8	11	2
15	8	12	1
16	9	14	2
17	9	15	1
18	10	22	1
19	10	23	2
20	11	14	1
21	11	24	1
22	12	15	2
23	12	25	1
24	13	16	1
25	13	17	2
26	13	19	1
27	14	26	1
28	15	27	1
29	16	18	2
30	16	28	1
31	17	20	1
32	18	21	1
33	20	21	2
34	20	29	1
35	21	30	1
36	23	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1