@<TRIPOS>MOLECULE
76963787
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2028    -1.8572     2.8826	O.3	1	noname	-0.2138
2	O2     0.1668    -0.0139     1.7688	O.2	1	noname	-0.2493
3	O3    -3.1048    -4.0130     2.4262	O.2	1	noname	-0.2948
4	O4     3.5575     0.6231    -3.0107	O.3	1	noname	-0.2861
5	N1    -2.0288    -2.4883     1.2466	N.3	1	noname	-0.0699
6	C1    -0.8995    -1.8853     0.6381	C.3	1	noname	0.1039
7	C2    -1.2925    -0.9450    -0.5351	C.3	1	noname	-0.0024
8	C3    -0.0768    -0.5426    -1.2974	C.2	1	noname	-0.0660
9	C4    -0.1452    -1.2185     1.7472	C.2	1	noname	0.1442
10	C5    -2.0239    -3.7107     1.8804	C.2	1	noname	0.0427
11	C6     0.5641    -1.3901    -2.2427	C.2	1	noname	-0.0475
12	C7     0.5301     0.6774    -0.9360	C.2	1	noname	-0.0475
13	C8    -0.9678    -4.7684     2.1033	C.3	1	noname	0.0393
14	C9     1.7861    -0.9908    -2.8329	C.2	1	noname	-0.0312
15	C10     1.7943     1.0189    -1.4496	C.2	1	noname	-0.0312
16	C11     2.4030     0.2129    -2.4309	C.2	1	noname	-0.0019
17	C12     0.5272    -4.6706     1.6785	C.2	1	noname	-0.0827
18	C13     1.0383    -5.5620     0.8340	C.2	1	noname	-0.0853
19	C14     2.4111    -5.4721     0.4439	C.3	1	noname	-0.0379
20	C15     2.4997    -5.2963    -1.0733	C.3	1	noname	-0.0619
21	H1    -0.3730    -2.6938     0.1426	H	1	noname	0.0581
22	H2    -1.9834    -1.4631    -1.2002	H	1	noname	0.0337
23	H3    -1.7682    -0.0804    -0.0723	H	1	noname	0.0337
24	H4    -2.8592    -1.9834     1.2692	H	1	noname	0.1319
25	H5     0.1698    -2.3070    -2.5026	H	1	noname	0.0626
26	H6     0.0801     1.2944    -0.2424	H	1	noname	0.0626
27	H7    -1.3637    -5.7430     1.8176	H	1	noname	0.0404
28	H8    -0.9548    -4.7984     3.1928	H	1	noname	0.0404
29	H9     2.2116    -1.5725    -3.5660	H	1	noname	0.0650
30	H10     2.2703     1.8631    -1.1124	H	1	noname	0.0650
31	H11     1.0972    -3.9448     2.0370	H	1	noname	0.0577
32	H12     0.4683    -6.2877     0.4755	H	1	noname	0.0572
33	H13     2.8735    -4.6167     0.9364	H	1	noname	0.0307
34	H14     2.9320    -6.3842     0.7351	H	1	noname	0.0307
35	H15     0.6292    -1.3529     3.6073	H	1	noname	0.2213
36	H16     3.5462    -5.2279    -1.3707	H	1	noname	0.0233
37	H17     1.9788    -4.3842    -1.3645	H	1	noname	0.0233
38	H18     2.0373    -6.1518    -1.5658	H	1	noname	0.0233
39	H19     3.8315    -0.0283    -3.6897	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	9	1
2	1	35	1
3	2	9	2
4	3	10	2
5	4	16	1
6	4	39	1
7	6	5	1
8	5	10	1
9	5	24	1
10	6	7	1
11	6	9	1
12	6	21	1
13	7	8	1
14	7	22	1
15	7	23	1
16	8	11	2
17	8	12	1
18	10	13	1
19	11	14	1
20	11	25	1
21	12	15	2
22	12	26	1
23	13	17	1
24	13	27	1
25	13	28	1
26	14	16	2
27	14	29	1
28	15	16	1
29	15	30	1
30	17	18	2
31	17	31	1
32	18	19	1
33	18	32	1
34	19	20	1
35	19	33	1
36	19	34	1
37	20	36	1
38	20	37	1
39	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1