@<TRIPOS>MOLECULE
76970751
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1818     2.5429     0.9120	O.3	1	noname	-0.2063
2	O2     2.7812     4.4630     1.6761	O.2	1	noname	-0.2596
3	N1     0.6045    -1.2804     0.5799	N.3	1	noname	-0.3002
4	C1    -0.4546    -0.2535     0.4453	C.3	1	noname	0.0121
5	C2     1.5454    -0.9836    -0.5240	C.3	1	noname	0.0121
6	C3    -0.7383    -0.2885    -1.0814	C.3	1	noname	-0.0359
7	C4     0.5809    -0.7858    -1.7243	C.3	1	noname	-0.0359
8	C5     0.1694     1.0534     1.0518	C.3	1	noname	-0.0103
9	C6     2.3691     0.2772    -0.0775	C.3	1	noname	-0.0103
10	C7     1.4564     1.4750     0.2843	C.3	1	noname	0.0706
11	C8     0.0244    -2.6077     0.3822	C.3	1	noname	-0.0127
12	C9     2.0836     3.9038     0.8034	C.2	1	noname	0.0965
13	C10     1.1928     4.5930    -0.0681	C.2	1	noname	0.0535
14	C11     0.4399     5.7040     0.4956	C.3	1	noname	-0.0341
15	C12     1.0492     4.1626    -1.3489	C.2	1	noname	-0.0270
16	C13    -0.0052     4.4337    -2.3066	C.3	1	noname	-0.0462
17	H1    -1.3645    -0.4981     0.9987	H	1	noname	0.0468
18	H2     2.2247    -1.8226    -0.7013	H	1	noname	0.0468
19	H3    -1.5347    -1.0038    -1.2867	H	1	noname	0.0283
20	H4    -1.0175     0.7120    -1.4117	H	1	noname	0.0283
21	H5     0.4079    -1.7445    -2.2132	H	1	noname	0.0283
22	H6     1.0160    -0.0638    -2.4154	H	1	noname	0.0283
23	H7    -0.5619     1.8604     1.0058	H	1	noname	0.0309
24	H8     0.3989     0.8447     2.0967	H	1	noname	0.0309
25	H9     3.0503     0.5680    -0.8772	H	1	noname	0.0309
26	H10     2.9542    -0.0200     0.7927	H	1	noname	0.0309
27	H11     1.1409     1.8098    -0.6489	H	1	noname	0.0611
28	H12     0.8038    -3.3633     0.4813	H	1	noname	0.0394
29	H13    -0.7479    -2.7820     1.1314	H	1	noname	0.0394
30	H14    -0.4151    -2.6675    -0.6134	H	1	noname	0.0394
31	H15    -0.1775     5.3441     1.3186	H	1	noname	0.0281
32	H16    -0.1980     6.1383    -0.2742	H	1	noname	0.0281
33	H17     1.1314     6.4616     0.8644	H	1	noname	0.0281
34	H18     1.7265     3.5157    -1.6864	H	1	noname	0.0577
35	H19    -0.4752     3.4964    -2.6045	H	1	noname	0.0273
36	H20    -0.7508     5.0854    -1.8512	H	1	noname	0.0273
37	H21     0.4178     4.9229    -3.1840	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	10	1
2	1	12	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	11	1
7	4	6	1
8	4	8	1
9	4	17	1
10	5	7	1
11	5	9	1
12	5	18	1
13	6	7	1
14	6	19	1
15	6	20	1
16	7	21	1
17	7	22	1
18	8	10	1
19	8	23	1
20	8	24	1
21	9	10	1
22	9	25	1
23	9	26	1
24	10	27	1
25	11	28	1
26	11	29	1
27	11	30	1
28	12	13	1
29	13	14	1
30	13	15	2
31	14	31	1
32	14	32	1
33	14	33	1
34	15	16	1
35	15	34	1
36	16	35	1
37	16	36	1
38	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1