@<TRIPOS>MOLECULE
86583338
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1466    -0.2766     0.2635	O.3	1	noname	-0.3609
2	O2    -1.7812     1.9086     0.9058	O.2	1	noname	-0.2879
3	O3     0.6724    -5.5843     0.3933	O.3	1	noname	-0.2138
4	O4    -0.8597    -5.0330     1.8492	O.2	1	noname	-0.2494
5	O5    -0.4865    -4.8431    -3.3927	O.2	1	noname	-0.2902
6	N1    -0.9353    -4.0649    -1.3753	N.3	1	noname	-0.0659
7	N2     2.2504    -3.7166    -1.2576	N.3	1	noname	-0.3205
8	C1     0.0795    -1.0292     1.4860	C.3	1	noname	0.0949
9	C2    -1.2097    -1.8743     1.8117	C.3	1	noname	-0.0095
10	C3    -0.0101     0.4807     1.4753	C.3	1	noname	0.1426
11	C4    -2.4619    -1.0794     2.3445	C.3	1	noname	-0.0408
12	C5    -1.7137    -2.6670     0.5638	C.3	1	noname	-0.0223
13	C6    -2.2601     0.4183     2.6689	C.3	1	noname	0.0093
14	C7    -1.3612     1.0259     1.6728	C.2	1	noname	0.1553
15	C8    -0.6479    -3.5841    -0.0699	C.3	1	noname	0.1003
16	C9    -0.2939    -4.7335     0.7746	C.2	1	noname	0.1440
17	C10    -0.0045    -4.3388    -2.3520	C.2	1	noname	0.0492
18	C11     1.4666    -4.1699    -2.4151	C.3	1	noname	0.0760
19	C12     2.1007    -5.4352    -2.9965	C.3	1	noname	-0.0414
20	H1     1.0627    -1.4618     1.7080	H	1	noname	0.0638
21	H2    -0.9477    -2.5987     2.5856	H	1	noname	0.0331
22	H3     0.8643     1.0141     1.8296	H	1	noname	0.0714
23	H4    -3.2885    -1.1910     1.6428	H	1	noname	0.0275
24	H5    -2.8299    -1.5787     3.2408	H	1	noname	0.0275
25	H6    -2.5865    -3.2597     0.8381	H	1	noname	0.0292
26	H7    -1.9830    -1.9195    -0.1824	H	1	noname	0.0292
27	H8    -3.2236     0.9277     2.6475	H	1	noname	0.0347
28	H9    -1.7560     0.4487     3.6349	H	1	noname	0.0347
29	H10     0.1952    -2.9290    -0.1901	H	1	noname	0.0578
30	H11    -1.8624    -4.2828    -1.5689	H	1	noname	0.1319
31	H12     1.6320    -3.4565    -3.2224	H	1	noname	0.0556
32	H13     0.9512    -6.3497     0.9719	H	1	noname	0.2213
33	H14     1.5194    -5.7714    -3.8550	H	1	noname	0.0251
34	H15     2.1131    -6.2172    -2.2373	H	1	noname	0.0251
35	H16     3.1215    -5.2183    -3.3113	H	1	noname	0.0251
36	H17     3.2387    -3.6682    -1.5132	H	1	noname	0.1191
37	H18     1.9275    -2.7910    -0.9689	H	1	noname	0.1191
@<TRIPOS>BOND
1	8	1	1
2	10	1	1
3	2	14	2
4	3	16	1
5	3	32	1
6	4	16	2
7	5	17	2
8	15	6	1
9	6	17	1
10	6	30	1
11	18	7	1
12	7	36	1
13	7	37	1
14	8	9	1
15	8	10	1
16	8	20	1
17	9	11	1
18	9	12	1
19	9	21	1
20	10	14	1
21	10	22	1
22	11	13	1
23	11	23	1
24	11	24	1
25	12	15	1
26	12	25	1
27	12	26	1
28	13	14	1
29	13	27	1
30	13	28	1
31	15	16	1
32	15	29	1
33	17	18	1
34	18	19	1
35	18	31	1
36	19	33	1
37	19	34	1
38	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1