@<TRIPOS>MOLECULE
50342314
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.4058     0.1454     0.5234	S.3	1	noname	-0.1801
2	C1     1.6027    -0.4001    -0.6614	C.2	1	noname	0.0902
3	C2    -0.9267     0.7408    -0.4736	C.2	1	noname	0.0219
4	N1     2.8127    -0.9445    -0.4740	N.3	1	noname	-0.1109
5	C3     0.9260    -0.1013    -1.8489	C.2	1	noname	0.0390
6	C4    -0.3617     0.4796    -1.7346	C.2	1	noname	0.0089
7	C5     3.5299    -0.6256     0.6120	C.2	1	noname	0.1355
8	C6     1.4936    -0.3635    -3.0904	C.2	1	noname	0.0210
9	O1     3.0703     0.1795     1.4504	O.2	1	noname	-0.2738
10	C7     4.8483    -1.2187     0.8161	C.3	1	noname	0.0467
11	O2     0.8664    -0.0862    -4.1355	O.2	1	noname	-0.2949
12	N2     2.7131    -0.9135    -3.1669	N.3	1	noname	-0.0860
13	C8     5.4209    -0.7154     2.0613	C.2	1	noname	-0.0551
14	C9     6.6795    -1.1413     2.4695	C.2	1	noname	-0.0685
15	C10     4.7075     0.1895     2.8385	C.2	1	noname	-0.0685
16	C11     7.2247    -0.6621     3.6550	C.2	1	noname	-0.0594
17	C12     5.2526     0.6687     4.0240	C.2	1	noname	-0.0594
18	C13     6.5112     0.2429     4.4322	C.2	1	noname	-0.0715
19	C14     8.5467    -1.1093     4.0838	C.3	1	noname	-0.0021
20	C15     4.5032     1.6193     4.8403	C.3	1	noname	-0.0021
21	H1    -1.9123     1.1857    -0.3366	H	1	noname	0.0740
22	H2     3.1841    -1.5950    -1.1514	H	1	noname	0.1379
23	H3    -0.9274     0.7299    -2.6320	H	1	noname	0.0640
24	H4     4.6943    -2.2894     0.9508	H	1	noname	0.0411
25	H5     5.4846    -0.8570     0.0084	H	1	noname	0.0411
26	H6     2.8131    -1.9181    -3.1957	H	1	noname	0.1274
27	H7     3.5323    -0.3234    -3.1957	H	1	noname	0.1274
28	H8     7.2390    -1.8509     1.8601	H	1	noname	0.0628
29	H9     3.7205     0.5234     2.5184	H	1	noname	0.0628
30	H10     6.9387     0.6186     5.3618	H	1	noname	0.0628
31	H11     8.5898    -1.1239     5.1729	H	1	noname	0.0279
32	H12     8.7334    -2.1121     3.6994	H	1	noname	0.0279
33	H13     9.3038    -0.4260     3.6994	H	1	noname	0.0279
34	H14     4.6724     1.4046     5.8955	H	1	noname	0.0279
35	H15     4.8377     2.6324     4.6175	H	1	noname	0.0279
36	H16     3.4399     1.5304     4.6175	H	1	noname	0.0279
@<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	1
7	5	8	1
8	5	6	1
9	7	9	2
10	7	10	1
11	8	11	2
12	8	12	1
13	10	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	16	19	1
20	17	20	1
21	17	18	1
22	3	21	1
23	4	22	1
24	6	23	1
25	10	24	1
26	10	25	1
27	12	26	1
28	12	27	1
29	14	28	1
30	15	29	1
31	18	30	1
32	19	31	1
33	19	32	1
34	19	33	1
35	20	34	1
36	20	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1