@<TRIPOS>MOLECULE
76966574
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6736     2.4164    -0.2063	O.3	1	noname	-0.3679
2	O2     1.4055     5.7984     0.8305	O.3	1	noname	-0.2181
3	O3     1.6354     4.3090    -0.8032	O.2	1	noname	-0.2549
4	N1     0.0970     1.7328     0.5626	N.3	1	noname	-0.0742
5	C1     2.6117     2.2260     0.7941	C.3	1	noname	0.1155
6	C2     1.3846     1.6506     0.1564	C.2	1	noname	-0.1014
7	C3     1.4505     0.9205    -1.0346	C.2	1	noname	-0.0202
8	C4     3.0861     1.3425     1.9933	C.3	1	noname	-0.0181
9	C5     2.6870     0.7331    -1.8387	C.3	1	noname	0.0333
10	C6     2.3013     3.6317     1.4083	C.3	1	noname	0.0681
11	C7     3.9535     1.3852    -1.2009	C.3	1	noname	0.0521
12	C8     0.1613     0.4493    -1.2534	C.2	1	noname	-0.0284
13	C9    -0.6563     0.9922    -0.2620	C.2	1	noname	-0.0866
14	C10     3.4861    -0.0961     1.5857	C.3	1	noname	-0.0530
15	C11    -0.3515    -0.4272    -2.2243	C.2	1	noname	-0.0393
16	C12     1.7938     4.5874     0.4087	C.2	1	noname	0.1364
17	C13    -2.0259     0.7143    -0.2204	C.2	1	noname	-0.0437
18	C14     3.9343    -0.9940     2.7517	C.3	1	noname	-0.0653
19	C15    -1.7222    -0.7373    -2.1741	C.2	1	noname	-0.0540
20	C16    -2.5578    -0.1665    -1.1874	C.2	1	noname	-0.0511
21	H1     2.2693     1.2904     2.7381	H	1	noname	0.0300
22	H2     3.9471     1.8439     2.4644	H	1	noname	0.0300
23	H3     2.5365     1.1914    -2.8271	H	1	noname	0.0340
24	H4     2.8573    -0.3429    -1.9778	H	1	noname	0.0340
25	H5     1.5505     3.5315     2.2074	H	1	noname	0.0406
26	H6     3.2038     4.0423     1.8754	H	1	noname	0.0406
27	H7     4.5852     0.6020    -0.8128	H	1	noname	0.0570
28	H8     4.6036     1.8208    -1.9762	H	1	noname	0.0570
29	H9    -0.2412     2.2380     1.3214	H	1	noname	0.1525
30	H10     2.6765    -0.5575     1.0003	H	1	noname	0.0265
31	H11     4.3910    -0.0355     1.0148	H	1	noname	0.0265
32	H12     0.2574    -0.8402    -2.9319	H	1	noname	0.0629
33	H13    -2.6204     1.1245     0.4994	H	1	noname	0.0642
34	H14     4.1947    -1.9814     2.3706	H	1	noname	0.0230
35	H15     3.1222    -1.0854     3.4729	H	1	noname	0.0230
36	H16     4.8037    -0.5513     3.2378	H	1	noname	0.0230
37	H17    -2.1175    -1.3841    -2.8559	H	1	noname	0.0622
38	H18    -3.5495    -0.3945    -1.1664	H	1	noname	0.0623
39	H19     0.8363     6.3214     0.2339	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	16	1
4	2	39	1
5	3	16	2
6	4	6	1
7	4	13	1
8	4	29	1
9	5	6	1
10	5	8	1
11	5	10	1
12	6	7	2
13	7	9	1
14	7	12	1
15	8	14	1
16	8	21	1
17	8	22	1
18	9	11	1
19	9	23	1
20	9	24	1
21	10	16	1
22	10	25	1
23	10	26	1
24	11	27	1
25	11	28	1
26	12	13	1
27	12	15	2
28	13	17	2
29	14	18	1
30	14	30	1
31	14	31	1
32	15	19	1
33	15	32	1
34	17	20	1
35	17	33	1
36	18	34	1
37	18	35	1
38	18	36	1
39	19	20	2
40	19	37	1
41	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1