@<TRIPOS>MOLECULE
50332084
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7291    -0.0681    -0.0613	S.3	1	noname	-0.2059
2	C1    -0.0406    -0.0234    -0.0616	C.2	1	noname	0.0551
3	C2     2.1893     1.6329    -0.1994	C.2	1	noname	0.0258
4	C3    -0.9597    -1.0626     0.0240	C.2	1	noname	0.0571
5	C4    -0.2510     1.3553    -0.1724	C.2	1	noname	0.0322
6	C5     0.8965     2.1843    -0.2415	C.2	1	noname	0.0081
7	N1    -2.2733    -0.7985     0.0052	N.2	1	noname	-0.2184
8	C6    -0.5163    -2.3758     0.1292	C.2	1	noname	0.0487
9	N2    -1.4872     1.8710    -0.2117	N.3	1	noname	-0.1292
10	C7    -3.1594    -1.8003     0.0877	C.2	1	noname	0.0358
11	N3    -1.4023    -3.3776     0.2117	N.2	1	noname	-0.2301
12	C8    -1.7163     3.0996     0.2717	C.2	1	noname	0.1320
13	C9    -2.7159    -3.1135     0.1929	C.2	1	noname	0.0317
14	O1    -0.7768     3.7646     0.7593	O.2	1	noname	-0.2745
15	C10    -3.0631     3.6615     0.2289	C.3	1	noname	0.0467
16	C11    -3.0507     5.0003     0.8113	C.2	1	noname	-0.0624
17	C12    -4.2262     5.7387     0.8813	C.2	1	noname	-0.0452
18	C13    -1.8633     5.5364     1.2957	C.2	1	noname	-0.0452
19	C14    -4.2144     7.0132     1.4358	C.2	1	noname	-0.0290
20	C15    -1.8514     6.8110     1.8502	C.2	1	noname	-0.0290
21	C16    -3.0270     7.5494     1.9203	C.2	1	noname	-0.0002
22	O2    -3.0155     8.7872     2.4588	O.3	1	noname	-0.2774
23	C17    -3.2676     8.6991     3.8535	C.3	1	noname	0.0423
24	H1     3.0999     2.2299    -0.2493	H	1	noname	0.0740
25	H2     0.7827     3.2649    -0.3285	H	1	noname	0.0648
26	H3     0.5449    -2.6242     0.1472	H	1	noname	0.0862
27	H4    -2.2462     1.3337    -0.6057	H	1	noname	0.1371
28	H5    -4.2205    -1.5518     0.0697	H	1	noname	0.0856
29	H6    -3.4104    -3.9507     0.2617	H	1	noname	0.0855
30	H7    -3.3219     3.7786    -0.8235	H	1	noname	0.0411
31	H8    -3.6832     3.0422     0.8769	H	1	noname	0.0411
32	H9    -5.1574     5.3183     0.5014	H	1	noname	0.0626
33	H10    -0.9414     4.9574     1.2408	H	1	noname	0.0626
34	H11    -5.1362     7.5923     1.4907	H	1	noname	0.0650
35	H12    -0.9203     7.2314     2.2301	H	1	noname	0.0650
36	H13    -3.3208     7.6508     4.1475	H	1	noname	0.0535
37	H14    -2.4620     9.1893     4.4000	H	1	noname	0.0535
38	H15    -4.2136     9.1893     4.0834	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	1
9	5	6	1
10	7	10	1
11	8	11	2
12	9	12	1
13	10	13	2
14	11	13	1
15	12	14	2
16	12	15	1
17	15	16	1
18	16	17	2
19	16	18	1
20	17	19	1
21	18	20	2
22	19	21	2
23	20	21	1
24	21	22	1
25	22	23	1
26	3	24	1
27	6	25	1
28	8	26	1
29	9	27	1
30	10	28	1
31	13	29	1
32	15	30	1
33	15	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1