@<TRIPOS>MOLECULE
76957230
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2775    -2.7160    -0.0397	O.3	1	noname	-0.2794
2	O2    -3.2997     1.6538    -1.8370	O.3	1	noname	-0.2794
3	N1    -2.9686    -5.1490    -2.6988	N.3	1	noname	-0.3301
4	C1    -0.4840    -0.3471    -0.4829	C.2	1	noname	-0.0242
5	C2     0.8192     0.0640     0.0258	C.3	1	noname	0.0191
6	C3     0.9015     1.5264    -0.4595	C.3	1	noname	-0.0449
7	C4    -0.5285     2.0125    -0.7760	C.3	1	noname	0.0177
8	C5    -1.2449     0.7526    -0.9341	C.2	1	noname	-0.0310
9	C6    -0.9884    -1.6751    -0.5233	C.2	1	noname	-0.0248
10	C7    -2.5571     0.5929    -1.4554	C.2	1	noname	-0.0214
11	C8    -2.2841    -1.8573    -1.1000	C.2	1	noname	-0.0279
12	C9    -3.0544    -0.7441    -1.5570	C.2	1	noname	-0.0356
13	C10    -2.8300    -3.2057    -1.2243	C.3	1	noname	0.0249
14	C11    -2.4219    -3.7988    -2.5743	C.3	1	noname	-0.0035
15	C12    -0.5886    -2.9046     1.3329	C.3	1	noname	0.0423
16	C13    -4.0629     2.1188    -0.7335	C.3	1	noname	0.0423
17	H1     0.8069     0.0429     1.1156	H	1	noname	0.0317
18	H2     1.6369    -0.5830    -0.2918	H	1	noname	0.0317
19	H3     1.3303     2.1468     0.3275	H	1	noname	0.0273
20	H4     1.4787     1.5451    -1.3839	H	1	noname	0.0273
21	H5    -0.9273     2.5519     0.0831	H	1	noname	0.0317
22	H6    -0.6187     2.6776    -1.6348	H	1	noname	0.0317
23	H7    -3.9760    -0.9059    -1.9631	H	1	noname	0.0654
24	H8    -3.9173    -3.1650    -1.1591	H	1	noname	0.0330
25	H9    -2.4410    -3.8307    -0.4204	H	1	noname	0.0330
26	H10    -2.8109    -3.1738    -3.3782	H	1	noname	0.0429
27	H11    -1.3347    -3.8395    -2.6395	H	1	noname	0.0429
28	H12    -0.0146    -3.7450     1.7233	H	1	noname	0.0535
29	H13    -1.6535    -3.1114     1.4390	H	1	noname	0.0535
30	H14    -0.3364    -2.0023     1.8900	H	1	noname	0.0535
31	H15    -4.6624     2.9754    -1.0416	H	1	noname	0.0535
32	H16    -4.7199     1.3221    -0.3846	H	1	noname	0.0535
33	H17    -3.3922     2.4159     0.0727	H	1	noname	0.0535
34	H18    -2.6960    -5.5451    -3.6006	H	1	noname	0.1184
35	H19    -3.9880    -5.1108    -2.6377	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	9	1
2	1	15	1
3	2	10	1
4	2	16	1
5	3	14	1
6	3	34	1
7	3	35	1
8	4	5	1
9	4	8	1
10	4	9	2
11	5	6	1
12	5	17	1
13	5	18	1
14	6	7	1
15	6	19	1
16	6	20	1
17	7	8	1
18	7	21	1
19	7	22	1
20	8	10	2
21	9	11	1
22	10	12	1
23	11	12	2
24	11	13	1
25	12	23	1
26	13	14	1
27	13	24	1
28	13	25	1
29	14	26	1
30	14	27	1
31	15	28	1
32	15	29	1
33	15	30	1
34	16	31	1
35	16	32	1
36	16	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1