@<TRIPOS>MOLECULE
71300932
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -6.2818    -5.5837     3.7039	O.3	1	noname	-0.3786
2	O2    -2.6586    -2.1822     0.0436	O.3	1	noname	-0.1971
3	O3    -3.8698    -0.9429     1.6462	O.2	1	noname	-0.2484
4	O4    -0.7047    -1.9542    -1.5357	O.2	1	noname	-0.2890
5	N1    -5.5275    -3.2287     2.0509	N.3	1	noname	-0.2894
6	C1    -6.7818    -3.9895     1.7360	C.3	1	noname	0.0224
7	C2    -4.7477    -3.6294     3.2771	C.3	1	noname	0.0224
8	C3    -7.3147    -4.9625     2.8556	C.3	1	noname	0.0595
9	C4    -4.8873    -5.1264     3.6838	C.3	1	noname	0.0595
10	C5    -4.6941    -3.1338     0.8264	C.3	1	noname	0.0852
11	C6    -3.7278    -1.9481     0.9169	C.2	1	noname	0.1496
12	C7    -1.8384    -1.1028     0.4221	C.3	1	noname	0.1196
13	C8    -0.7159    -1.1068    -0.6168	C.2	1	noname	0.1037
14	C9     0.3474    -0.1009    -0.5184	C.2	1	noname	-0.0173
15	C10     0.9369     0.3055     0.7241	C.2	1	noname	-0.0168
16	C11     0.8200     0.3801    -1.7807	C.2	1	noname	-0.0168
17	C12     2.0145     1.2360     0.7053	C.2	1	noname	-0.0475
18	C13     1.9074     1.3085    -1.8052	C.2	1	noname	-0.0475
19	C14     2.4853     1.7247    -0.5576	C.2	1	noname	-0.0392
20	H1    -7.5703    -3.2906     1.4567	H	1	noname	0.0454
21	H2    -6.5341    -4.6069     0.8726	H	1	noname	0.0454
22	H3    -5.0386    -2.9965     4.1155	H	1	noname	0.0454
23	H4    -3.6894    -3.4306     3.1085	H	1	noname	0.0454
24	H5    -8.0321    -4.4349     3.4842	H	1	noname	0.0579
25	H6    -7.9102    -5.7475     2.3895	H	1	noname	0.0579
26	H7    -4.4406    -5.2792     4.6662	H	1	noname	0.0579
27	H8    -4.3802    -5.7070     2.9132	H	1	noname	0.0579
28	H9    -5.3392    -3.0111    -0.0436	H	1	noname	0.0539
29	H10    -4.1262    -4.0451     0.6391	H	1	noname	0.0539
30	H11    -2.4023    -0.1733     0.3442	H	1	noname	0.0659
31	H12    -1.4714    -1.1445     1.4476	H	1	noname	0.0659
32	H13     0.5895    -0.0664     1.6080	H	1	noname	0.0630
33	H14     0.3878     0.0657    -2.6495	H	1	noname	0.0630
34	H15     2.4441     1.5496     1.5757	H	1	noname	0.0622
35	H16     2.2654     1.6677    -2.6902	H	1	noname	0.0622
36	H17     3.2575     2.3910    -0.5707	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	11	1
4	2	12	1
5	3	11	2
6	4	13	2
7	5	6	1
8	5	7	1
9	5	10	1
10	6	8	1
11	6	20	1
12	6	21	1
13	7	9	1
14	7	22	1
15	7	23	1
16	8	24	1
17	8	25	1
18	9	26	1
19	9	27	1
20	10	11	1
21	10	28	1
22	10	29	1
23	12	13	1
24	12	30	1
25	12	31	1
26	13	14	1
27	14	15	2
28	14	16	1
29	15	17	1
30	15	32	1
31	16	18	2
32	16	33	1
33	17	19	2
34	17	34	1
35	18	19	1
36	18	35	1
37	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1