@<TRIPOS>MOLECULE
76968168
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2846     1.8195     0.2400	O.2	1	noname	-0.2949
2	O2     2.5368     4.4496     0.9365	O.3	1	noname	-0.2147
3	O3     2.2655     2.3011     1.4568	O.2	1	noname	-0.2505
4	N1     0.7451     1.7569    -0.8072	N.3	1	noname	-0.0654
5	C1     0.8440    -2.5004     0.8154	C.3	1	noname	-0.0528
6	C2     2.2207    -3.1171     0.4543	C.3	1	noname	-0.0533
7	C3     0.8687    -1.0621     0.3241	C.3	1	noname	-0.0450
8	C4     2.1959    -4.5682     0.9069	C.3	1	noname	-0.0535
9	C5    -0.4201    -0.2470     0.4398	C.3	1	noname	0.0214
10	C6     3.5449    -5.2532     0.6075	C.3	1	noname	-0.0561
11	C7    -0.2986     1.1367    -0.0900	C.2	1	noname	0.0438
12	C8     3.4893    -6.7049     1.0971	C.3	1	noname	-0.0654
13	C9     1.0985     3.1271    -0.4971	C.3	1	noname	0.0915
14	C10     1.5842     1.1104    -1.7804	C.3	1	noname	-0.0052
15	C11     1.9766     3.2497     0.6926	C.2	1	noname	0.1425
16	H1     0.0535    -3.0388     0.3072	H	1	noname	0.0267
17	H2     0.6551    -2.5522     1.8820	H	1	noname	0.0267
18	H3     2.3989    -3.0790    -0.6178	H	1	noname	0.0266
19	H4     3.0307    -2.5862     0.9471	H	1	noname	0.0266
20	H5     1.0628    -1.1826    -0.7470	H	1	noname	0.0271
21	H6     1.6925    -0.5457     0.8050	H	1	noname	0.0271
22	H7     1.4005    -5.0930     0.3777	H	1	noname	0.0266
23	H8     1.9980    -4.6064     1.9751	H	1	noname	0.0266
24	H9    -1.2221    -0.7864    -0.0547	H	1	noname	0.0361
25	H10    -0.6840    -0.2139     1.5068	H	1	noname	0.0361
26	H11     3.7502    -5.2352    -0.4674	H	1	noname	0.0264
27	H12     4.3545    -4.7238     1.1190	H	1	noname	0.0264
28	H13     4.4432    -7.2001     0.8987	H	1	noname	0.0230
29	H14     2.6918    -7.2470     0.5791	H	1	noname	0.0230
30	H15     3.2921    -6.7310     2.1735	H	1	noname	0.0230
31	H16     0.1988     3.7443    -0.3534	H	1	noname	0.0543
32	H17     1.6563     3.6413    -1.2931	H	1	noname	0.0543
33	H18     1.1130     0.3712    -2.3940	H	1	noname	0.0399
34	H19     2.0527     1.8635    -2.4139	H	1	noname	0.0399
35	H20     2.3359     0.5466    -1.2279	H	1	noname	0.0399
36	H21     3.1238     4.5720     1.6921	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	2
2	2	15	1
3	2	36	1
4	3	15	2
5	4	11	1
6	4	13	1
7	4	14	1
8	5	6	1
9	5	7	1
10	5	16	1
11	5	17	1
12	6	8	1
13	6	18	1
14	6	19	1
15	7	9	1
16	7	20	1
17	7	21	1
18	8	10	1
19	8	22	1
20	8	23	1
21	9	11	1
22	9	24	1
23	9	25	1
24	10	12	1
25	10	26	1
26	10	27	1
27	12	28	1
28	12	29	1
29	12	30	1
30	13	15	1
31	13	31	1
32	13	32	1
33	14	33	1
34	14	34	1
35	14	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1