@<TRIPOS>MOLECULE
76970322
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0174    -1.4112     2.5985	O.3	1	noname	-0.1143
2	O2     1.3820    -0.6216     4.6763	O.2	1	noname	-0.2617
3	O3    -1.1695    -3.3384     2.8900	O.2	1	noname	-0.2432
4	N1     1.0929    -0.6153     2.4091	N.3	1	noname	-0.0864
5	C1     1.2556     0.1883     1.2502	C.2	1	noname	-0.0065
6	C2     1.3521     2.2071    -0.7645	C.2	1	noname	-0.0345
7	C3     2.3245     1.1245     1.1239	C.2	1	noname	-0.0146
8	C4     0.2854     0.2312     0.1966	C.2	1	noname	-0.0146
9	C5     2.4519     2.0403     0.0951	C.2	1	noname	-0.0382
10	C6     0.3351     1.2290    -0.8063	C.2	1	noname	-0.0382
11	C7     1.2196     3.3985    -1.4664	C.2	1	noname	-0.0449
12	C8     1.7861     5.0563     0.3257	C.2	1	noname	-0.0450
13	C9     1.3971     4.6363    -0.9687	C.2	1	noname	-0.0459
14	C10     1.9123    -0.5403     3.5306	C.2	1	noname	0.1682
15	C11     2.7587     6.0785     0.4133	C.2	1	noname	-0.0517
16	C12     1.2729     4.5429     1.5470	C.2	1	noname	-0.0517
17	C13     3.2439     6.5363     1.6486	C.2	1	noname	-0.0591
18	C14     1.7587     5.0017     2.7898	C.2	1	noname	-0.0591
19	C15     3.3840    -0.6515     3.5289	C.3	1	noname	0.0122
20	C16     2.7510     5.9931     2.8425	C.2	1	noname	-0.0627
21	C17    -0.0431    -2.7706     2.9125	C.2	1	noname	0.1777
22	C18     1.0643    -3.5789     3.4757	C.3	1	noname	0.0236
23	H1     3.0324     1.2468     1.8238	H	1	noname	0.0640
24	H2    -0.5190    -0.4228     0.1592	H	1	noname	0.0640
25	H3     3.2656     2.6625     0.0165	H	1	noname	0.0629
26	H4    -0.4064     1.2799    -1.5376	H	1	noname	0.0629
27	H5     0.9503     3.3165    -2.4279	H	1	noname	0.0629
28	H6     1.2714     5.3815    -1.6221	H	1	noname	0.0629
29	H7     3.1409     6.5077    -0.4300	H	1	noname	0.0628
30	H8     0.5345     3.8358     1.5567	H	1	noname	0.0628
31	H9     3.9586     7.2635     1.6722	H	1	noname	0.0622
32	H10     1.3895     4.6194     3.6637	H	1	noname	0.0622
33	H11     3.8366     0.3257     3.6732	H	1	noname	0.0325
34	H12     3.6988    -1.3196     4.3306	H	1	noname	0.0325
35	H13     3.7185    -0.9875     2.5475	H	1	noname	0.0325
36	H14     3.1146     6.3218     3.7410	H	1	noname	0.0622
37	H15     0.7612    -3.9894     4.4388	H	1	noname	0.0336
38	H16     1.3033    -4.3938     2.7924	H	1	noname	0.0336
39	H17     1.9429    -2.9479     3.6100	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	4	1
2	1	21	1
3	2	14	2
4	3	21	2
5	4	5	1
6	4	14	1
7	5	7	2
8	5	8	1
9	6	9	2
10	6	10	1
11	6	11	1
12	7	9	1
13	7	23	1
14	8	10	2
15	8	24	1
16	9	25	1
17	10	26	1
18	11	13	2
19	11	27	1
20	12	13	1
21	12	15	2
22	12	16	1
23	13	28	1
24	14	19	1
25	15	17	1
26	15	29	1
27	16	18	2
28	16	30	1
29	17	20	2
30	17	31	1
31	18	20	1
32	18	32	1
33	19	33	1
34	19	34	1
35	19	35	1
36	20	36	1
37	21	22	1
38	22	37	1
39	22	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1