@<TRIPOS>MOLECULE
57483082
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8162     1.9199     0.2912	O.2	1	noname	-0.2968
2	O2     9.1831     0.0695    -1.2704	O.3	1	noname	-0.2189
3	O3     7.5214    -1.3610    -1.7850	O.2	1	noname	-0.2559
4	O4    -3.5957    -2.8759     0.8255	O.3	1	noname	-0.3949
5	N1    -1.9411     0.0452    -0.5766	N.3	1	noname	-0.0789
6	C1     3.0265     0.4730    -0.7057	C.3	1	noname	-0.0533
7	C2     1.9728     1.4649    -0.2092	C.3	1	noname	-0.0528
8	C3     4.4203     1.0795    -0.5311	C.3	1	noname	-0.0528
9	C4     0.5790     0.8584    -0.3838	C.3	1	noname	-0.0450
10	C5     5.4740     0.0876    -1.0277	C.3	1	noname	-0.0439
11	C6    -0.4747     1.8503     0.1128	C.3	1	noname	0.0212
12	C7     6.8677     0.6941    -0.8531	C.3	1	noname	0.0335
13	C8    -1.8047     1.2715    -0.0538	C.2	1	noname	0.0378
14	C9     7.8733    -0.2525    -1.3269	C.2	1	noname	0.1348
15	C10    -3.0276    -0.7676    -0.1935	C.3	1	noname	0.0259
16	C11    -2.5014    -2.0572     0.4397	C.3	1	noname	0.0561
17	H1     2.8538     0.2568    -1.7600	H	1	noname	0.0266
18	H2     2.9570    -0.4497    -0.1296	H	1	noname	0.0266
19	H3     2.0423     2.3876    -0.7853	H	1	noname	0.0267
20	H4     2.1455     1.6810     0.8451	H	1	noname	0.0267
21	H5     4.4898     2.0022    -1.1073	H	1	noname	0.0267
22	H6     4.5930     1.2956     0.5232	H	1	noname	0.0267
23	H7     0.4063     0.6422    -1.4381	H	1	noname	0.0271
24	H8     0.5095    -0.0643     0.1924	H	1	noname	0.0271
25	H9     5.3013    -0.1286    -2.0820	H	1	noname	0.0272
26	H10     5.4045    -0.8351    -0.4515	H	1	noname	0.0272
27	H11    -0.4052     2.7730    -0.4634	H	1	noname	0.0361
28	H12    -0.3020     2.0664     1.1671	H	1	noname	0.0361
29	H13     6.9372     1.6168    -1.4293	H	1	noname	0.0372
30	H14     7.0405     0.9102     0.2012	H	1	noname	0.0372
31	H15    -1.2923    -0.2832    -1.2185	H	1	noname	0.1310
32	H16    -3.6441    -0.2332     0.5293	H	1	noname	0.0456
33	H17    -3.6260    -1.0117    -1.0713	H	1	noname	0.0456
34	H18    -1.9030    -1.8132     1.3174	H	1	noname	0.0577
35	H19    -1.8850    -2.5917    -0.2832	H	1	noname	0.0577
36	H20     9.8559    -0.6335    -1.1543	H	1	noname	0.2213
37	H21    -3.2586    -3.7019     1.2310	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	13	2
2	2	14	1
3	2	36	1
4	3	14	2
5	4	16	1
6	4	37	1
7	5	13	1
8	5	15	1
9	5	31	1
10	6	7	1
11	6	8	1
12	6	17	1
13	6	18	1
14	7	9	1
15	7	19	1
16	7	20	1
17	8	10	1
18	8	21	1
19	8	22	1
20	9	11	1
21	9	23	1
22	9	24	1
23	10	12	1
24	10	25	1
25	10	26	1
26	11	13	1
27	11	27	1
28	11	28	1
29	12	14	1
30	12	29	1
31	12	30	1
32	15	16	1
33	15	32	1
34	15	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1