@<TRIPOS>MOLECULE
76971551
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.8962     0.2039     1.0593	O.3	1	noname	-0.3756
2	O2    -1.5997    -1.3138     0.3698	O.3	1	noname	-0.1976
3	O3     1.3005    -3.4371     0.6244	O.3	1	noname	-0.2597
4	O4    -1.1427    -3.1688     1.7710	O.2	1	noname	-0.2442
5	O5     1.7128    -5.7281    -2.6956	O.2	1	noname	-0.2950
6	N1     0.4000    -4.9737    -1.0402	N.3	1	noname	-0.0861
7	C1    -3.6263    -0.1069     0.4782	C.3	1	noname	0.0816
8	C2    -2.8789     1.2060     0.7414	C.3	1	noname	-0.0223
9	C3    -3.9159     2.2270     0.3017	C.3	1	noname	-0.0270
10	C4    -5.2444     1.5392     0.6340	C.3	1	noname	0.0473
11	C5    -2.8391    -1.2854     1.0765	C.3	1	noname	0.0827
12	C6    -0.8128    -2.3648     0.8725	C.2	1	noname	0.1545
13	C7     0.5172    -2.3471     0.1232	C.3	1	noname	0.1392
14	C8     2.5264    -3.5166     0.0160	C.2	1	noname	0.0373
15	C9     2.6683    -4.3187    -1.1682	C.2	1	noname	0.0151
16	C10     3.6392    -2.8125     0.5921	C.2	1	noname	-0.0169
17	C11     3.9314    -4.3768    -1.8293	C.2	1	noname	-0.0117
18	C12     4.9099    -2.8587    -0.0552	C.2	1	noname	-0.0379
19	C13     5.0257    -3.6364    -1.2600	C.2	1	noname	-0.0585
20	C14     1.5838    -5.0321    -1.6653	C.2	1	noname	0.0180
21	H1    -3.7453    -0.3445    -0.5863	H	1	noname	0.0627
22	H2    -2.6956     1.3117     1.8107	H	1	noname	0.0294
23	H3    -1.9298     1.2862     0.2115	H	1	noname	0.0294
24	H4    -3.8439     2.3772    -0.7756	H	1	noname	0.0291
25	H5    -3.7993     3.1957     0.7876	H	1	noname	0.0291
26	H6    -5.8603     1.4856    -0.2638	H	1	noname	0.0566
27	H7    -5.7815     2.0354     1.4423	H	1	noname	0.0566
28	H8    -3.3816    -2.2135     0.8962	H	1	noname	0.0600
29	H9    -2.6629    -1.1704     2.1460	H	1	noname	0.0600
30	H10     0.3360    -2.4897    -0.9421	H	1	noname	0.0682
31	H11     1.0148    -1.3798     0.1925	H	1	noname	0.0682
32	H12     3.5214    -2.2841     1.4566	H	1	noname	0.0650
33	H13     4.0547    -4.9265    -2.6796	H	1	noname	0.0631
34	H14     5.7119    -2.3558     0.3248	H	1	noname	0.0623
35	H15     5.9284    -3.6642    -1.7341	H	1	noname	0.0622
36	H16    -0.4213    -5.0722    -1.5467	H	1	noname	0.1274
37	H17     0.3645    -4.8329    -0.0811	H	1	noname	0.1274
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	11	1
4	2	12	1
5	3	13	1
6	3	14	1
7	4	12	2
8	5	20	2
9	6	20	1
10	6	36	1
11	6	37	1
12	7	8	1
13	7	11	1
14	7	21	1
15	8	9	1
16	8	22	1
17	8	23	1
18	9	10	1
19	9	24	1
20	9	25	1
21	10	26	1
22	10	27	1
23	11	28	1
24	11	29	1
25	12	13	1
26	13	30	1
27	13	31	1
28	14	15	1
29	14	16	2
30	15	17	2
31	15	20	1
32	16	18	1
33	16	32	1
34	17	19	1
35	17	33	1
36	18	19	2
37	18	34	1
38	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1