@<TRIPOS>MOLECULE
76966573
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6639     1.4585    -0.2708	O.3	1	noname	-0.3679
2	O2     3.2975    -2.6197     0.7557	O.3	1	noname	-0.2181
3	O3     4.2641    -0.6619     1.3083	O.2	1	noname	-0.2549
4	N1     0.0788     2.0144     0.4841	N.3	1	noname	-0.0742
5	C1     2.4395     0.9987     0.3988	C.3	1	noname	0.1155
6	C2     1.2805     1.7861    -0.1063	C.2	1	noname	-0.1014
7	C3     1.3364     2.3896    -1.3750	C.2	1	noname	-0.0202
8	C4     2.6096     1.2350     1.9133	C.3	1	noname	-0.0181
9	C5     2.5103     2.3469    -2.2980	C.3	1	noname	0.0333
10	C6     2.1831    -0.5212     0.2272	C.3	1	noname	0.0681
11	C7     3.6713     1.4907    -1.7288	C.3	1	noname	0.0521
12	C8     0.0766     2.9428    -1.5821	C.2	1	noname	-0.0284
13	C9    -0.6471     2.7442    -0.3698	C.2	1	noname	-0.0866
14	C10     2.8282     2.7265     2.1754	C.3	1	noname	-0.0530
15	C11    -0.5136     3.5410    -2.7285	C.2	1	noname	-0.0393
16	C12     3.3020    -1.2702     0.7917	C.2	1	noname	0.1364
17	C13    -1.9961     3.1737    -0.2125	C.2	1	noname	-0.0437
18	C14     2.9969     2.9609     3.6779	C.3	1	noname	-0.0653
19	C15    -1.8776     3.9363    -2.5837	C.2	1	noname	-0.0540
20	C16    -2.5931     3.7471    -1.3721	C.2	1	noname	-0.0511
21	H1     1.7130     0.9019     2.4360	H	1	noname	0.0300
22	H2     3.4707     0.6727     2.2743	H	1	noname	0.0300
23	H3     2.2001     1.9434    -3.2619	H	1	noname	0.0340
24	H4     2.8158     3.3787    -2.4715	H	1	noname	0.0340
25	H5     1.2641    -0.7954     0.7452	H	1	noname	0.0406
26	H6     2.0866    -0.7560    -0.8328	H	1	noname	0.0406
27	H7     3.5964     0.4742    -2.1150	H	1	noname	0.0570
28	H8     4.6234     1.8759    -2.0938	H	1	noname	0.0570
29	H9    -0.2005     1.7061     1.3603	H	1	noname	0.1525
30	H10     1.9671     3.2889     1.8144	H	1	noname	0.0265
31	H11     3.7248     3.0597     1.6527	H	1	noname	0.0265
32	H12     0.0033     3.6788    -3.5970	H	1	noname	0.0629
33	H13    -2.4998     3.0773     0.6691	H	1	noname	0.0642
34	H14     3.1527     4.0235     3.8646	H	1	noname	0.0230
35	H15     2.1003     2.6278     4.2006	H	1	noname	0.0230
36	H16     3.8581     2.3986     4.0389	H	1	noname	0.0230
37	H17    -2.3533     4.3684    -3.3758	H	1	noname	0.0622
38	H18    -3.5715     4.0326    -1.3303	H	1	noname	0.0623
39	H19     4.1438    -3.1114     0.7058	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