@<TRIPOS>MOLECULE
76957818
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6465     2.9214    -3.1980	O.3	1	noname	-0.2164
2	O2     1.4142     2.4299    -2.5369	O.2	1	noname	-0.2528
3	O3    -1.9718    -3.3777    -0.4130	O.2	1	noname	-0.2918
4	O4     4.4348    -4.1819    -0.4121	O.3	1	noname	-0.2750
5	N1    -0.5588    -0.0953    -0.5094	N.3	1	noname	-0.0239
6	C1    -0.3283     2.2090    -0.8672	C.3	1	noname	0.0846
7	C2     0.7402     1.7581     0.1909	C.3	1	noname	-0.0194
8	C3     0.6459     0.2152     0.2197	C.3	1	noname	0.0177
9	C4    -1.1384     0.9855    -1.0164	C.2	1	noname	-0.0751
10	C5    -1.3035    -1.2033    -0.7912	C.2	1	noname	-0.0629
11	C6    -2.3652     0.6318    -1.5907	C.2	1	noname	-0.0301
12	C7    -2.4562    -0.7564    -1.4715	C.2	1	noname	-0.0083
13	C8     0.2142     2.5510    -2.2197	C.2	1	noname	0.1394
14	C9    -1.0044    -2.5897    -0.5708	C.2	1	noname	0.0583
15	C10     0.3509    -3.0888    -0.6378	C.2	1	noname	-0.0274
16	C11     0.7023    -4.4106    -0.2423	C.2	1	noname	-0.0062
17	C12     1.4173    -2.2955    -1.1540	C.2	1	noname	-0.0062
18	C13     2.0697    -4.7999    -0.1994	C.2	1	noname	-0.0164
19	C14     2.7512    -2.5549    -0.8535	C.2	1	noname	-0.0164
20	C15     3.1066    -3.8482    -0.4377	C.2	1	noname	0.0192
21	C16     4.9455    -4.0208     0.9130	C.3	1	noname	0.0423
22	H1    -0.9259     3.0214    -0.4468	H	1	noname	0.0473
23	H2     0.5220     2.1139     1.2021	H	1	noname	0.0295
24	H3     1.7501     2.1172    -0.0865	H	1	noname	0.0295
25	H4     0.6263    -0.2150     1.2254	H	1	noname	0.0473
26	H5     1.5735    -0.0366    -0.2535	H	1	noname	0.0473
27	H6    -3.0696     1.2468    -2.0113	H	1	noname	0.0639
28	H7    -3.2176    -1.3460    -1.8541	H	1	noname	0.0644
29	H8    -0.2906     3.0085    -4.1035	H	1	noname	0.2213
30	H9    -0.0250    -5.1338    -0.0459	H	1	noname	0.0631
31	H10     1.2726    -1.5029    -1.7715	H	1	noname	0.0631
32	H11     2.3178    -5.7833    -0.0429	H	1	noname	0.0650
33	H12     3.4355    -1.7971    -0.9824	H	1	noname	0.0650
34	H13     6.0023    -4.2871     0.9300	H	1	noname	0.0535
35	H14     4.3963    -4.6695     1.5954	H	1	noname	0.0535
36	H15     4.8273    -2.9829     1.2242	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	13	1
2	1	29	1
3	2	13	2
4	3	14	2
5	4	20	1
6	4	21	1
7	5	8	1
8	5	9	1
9	5	10	1
10	6	7	1
11	6	9	1
12	6	13	1
13	6	22	1
14	7	8	1
15	7	23	1
16	7	24	1
17	8	25	1
18	8	26	1
19	9	11	2
20	10	12	2
21	10	14	1
22	11	12	1
23	11	27	1
24	12	28	1
25	14	15	1
26	15	16	2
27	15	17	1
28	16	18	1
29	16	30	1
30	17	19	2
31	17	31	1
32	18	20	2
33	18	32	1
34	19	20	1
35	19	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1