@<TRIPOS>MOLECULE
91667740
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.3487     0.0136     0.8028	O.3	1	noname	-0.3863
2	O2     2.8232     3.3222     1.3449	O.3	1	noname	-0.2774
3	O3    -4.8027    -5.5305    -0.7545	O.3	1	noname	-0.2774
4	N1     0.5205    -2.2315    -0.2302	N.3	1	noname	-0.3215
5	C1    -0.3571    -1.0114    -0.1865	C.3	1	noname	0.0602
6	C2    -1.5514    -1.1739     0.7797	C.3	1	noname	0.0983
7	C3     0.4586     0.1185     0.1997	C.2	1	noname	-0.0576
8	C4    -2.4138    -2.3021     0.3648	C.2	1	noname	-0.0531
9	C5     1.5251    -0.0846     1.0870	C.2	1	noname	-0.0420
10	C6     0.1611     1.3937    -0.2930	C.2	1	noname	-0.0420
11	C7    -3.5275    -2.6458     1.1612	C.2	1	noname	-0.0390
12	C8    -2.1712    -3.0381    -0.8277	C.2	1	noname	-0.0390
13	C9     2.3303     0.9843     1.4591	C.2	1	noname	-0.0281
14	C10     0.9584     2.4750     0.0867	C.2	1	noname	-0.0281
15	C11    -4.3316    -3.7196     0.7845	C.2	1	noname	-0.0272
16	C12    -2.9110    -4.1635    -1.1492	C.2	1	noname	-0.0272
17	C13     2.0423     2.2820     0.9767	C.2	1	noname	0.0001
18	C14    -4.0250    -4.4836    -0.3687	C.2	1	noname	0.0004
19	C15     2.2852     3.9159     2.5377	C.3	1	noname	0.0423
20	C16    -5.8225    -5.0526    -1.6474	C.3	1	noname	0.0423
21	H1    -0.7555    -0.8208    -1.2020	H	1	noname	0.0544
22	H2    -1.1701    -1.3530     1.7927	H	1	noname	0.0672
23	H3    -0.0085    -3.0867    -0.3363	H	1	noname	0.1191
24	H4     1.0790    -2.2802     0.6244	H	1	noname	0.1191
25	H5     1.7441    -1.0102     1.4653	H	1	noname	0.0627
26	H6    -0.6327     1.5510    -0.9273	H	1	noname	0.0627
27	H7    -3.7607    -2.0964     1.9891	H	1	noname	0.0627
28	H8    -1.4734    -2.7900    -1.5014	H	1	noname	0.0627
29	H9    -2.6919     0.1942    -0.0972	H	1	noname	0.2110
30	H10     3.1125     0.8250     2.0917	H	1	noname	0.0650
31	H11     0.7528     3.4102    -0.2649	H	1	noname	0.0650
32	H12    -5.1560    -3.9567     1.3295	H	1	noname	0.0650
33	H13    -2.6511    -4.6947    -1.9783	H	1	noname	0.0650
34	H14     2.9110     4.7557     2.8396	H	1	noname	0.0535
35	H15     1.2725     4.2689     2.3429	H	1	noname	0.0535
36	H16     2.2640     3.1733     3.3354	H	1	noname	0.0535
37	H17    -6.4504    -5.8864    -1.9614	H	1	noname	0.0535
38	H18    -6.4343    -4.3095    -1.1359	H	1	noname	0.0535
39	H19    -5.3562    -4.5995    -2.5223	H	1	noname	0.0535
@<TRIPOS>BOND
1	6	1	1
2	1	29	1
3	2	17	1
4	2	19	1
5	3	18	1
6	3	20	1
7	5	4	1
8	4	23	1
9	4	24	1
10	5	6	1
11	5	7	1
12	5	21	1
13	6	8	1
14	6	22	1
15	7	9	2
16	7	10	1
17	8	11	2
18	8	12	1
19	9	13	1
20	9	25	1
21	10	14	2
22	10	26	1
23	11	15	1
24	11	27	1
25	12	16	2
26	12	28	1
27	13	17	2
28	13	30	1
29	14	17	1
30	14	31	1
31	15	18	2
32	15	32	1
33	16	18	1
34	16	33	1
35	19	34	1
36	19	35	1
37	19	36	1
38	20	37	1
39	20	38	1
40	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1