@<TRIPOS>MOLECULE
50305294
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1447    -2.9056    -1.2282	O.3	1	noname	-0.3786
2	C1     2.0955    -1.9594    -0.1126	C.3	1	noname	0.0599
3	C2     1.0756    -2.9836    -2.2239	C.3	1	noname	0.0599
4	C3     0.6601    -1.5656     0.3771	C.3	1	noname	0.0282
5	C4    -0.2292    -2.2055    -1.8859	C.3	1	noname	0.0282
6	N1    -0.3766    -2.1484    -0.4513	N.3	1	noname	-0.0866
7	C5    -1.4857    -2.7453     0.0702	C.2	1	noname	0.0466
8	N2    -1.5270    -4.1039     0.1097	N.2	1	noname	-0.2323
9	C6    -2.6600    -2.0664     0.4608	C.2	1	noname	0.0301
10	C7    -2.6280    -4.8185     0.4637	C.2	1	noname	0.0486
11	N3    -2.9915    -0.7681     0.5424	N.3	1	noname	-0.0194
12	C8    -3.7806    -2.8086     0.8149	C.2	1	noname	0.0921
13	N4    -3.7636    -4.1545     0.8055	N.2	1	noname	-0.2138
14	C9    -2.6053    -6.2196     0.4717	C.2	1	noname	0.0235
15	C10    -4.2814    -0.7233     0.9481	C.2	1	noname	-0.0288
16	N5    -4.7702    -1.9704     1.1169	N.2	1	noname	-0.1918
17	C11    -3.7774    -6.9584     0.8421	C.2	1	noname	0.0176
18	C12    -1.4047    -6.9274     0.1119	C.2	1	noname	0.0225
19	N6    -3.7019    -8.3273     0.8371	N.2	1	noname	-0.2347
20	C13    -1.3539    -8.3507     0.1153	C.2	1	noname	0.0440
21	C14    -2.5522    -9.0192     0.4927	C.2	1	noname	0.0358
22	O2    -0.2343    -9.0264    -0.2201	O.3	1	noname	-0.2768
23	H1     2.5733    -2.4928     0.7090	H	1	noname	0.0580
24	H2     2.5513    -1.0537    -0.5127	H	1	noname	0.0580
25	H3     1.5010    -2.5089    -3.1082	H	1	noname	0.0580
26	H4     0.8107    -4.0407    -2.2470	H	1	noname	0.0580
27	H5     0.5132    -2.0113     1.3609	H	1	noname	0.0459
28	H6     0.5497    -0.4894     0.2444	H	1	noname	0.0459
29	H7    -0.1030    -1.1724    -2.2096	H	1	noname	0.0459
30	H8    -1.0765    -2.7896    -2.2452	H	1	noname	0.0459
31	H9    -2.3907     0.0179     0.3392	H	1	noname	0.1539
32	H10    -4.8491     0.1920     1.1159	H	1	noname	0.1014
33	H11    -4.7170    -6.4837     1.1248	H	1	noname	0.0847
34	H12    -0.5109    -6.3712    -0.1703	H	1	noname	0.0658
35	H13    -2.5911   -10.1082     0.5191	H	1	noname	0.0867
36	H14     0.2236    -9.3027     0.5772	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	1
12	9	12	2
13	10	13	2
14	10	14	1
15	11	15	1
16	12	16	1
17	12	13	1
18	14	17	2
19	14	18	1
20	15	16	2
21	17	19	1
22	18	20	2
23	19	21	2
24	20	22	1
25	20	21	1
26	2	23	1
27	2	24	1
28	3	25	1
29	3	26	1
30	4	27	1
31	4	28	1
32	5	29	1
33	5	30	1
34	11	31	1
35	15	32	1
36	17	33	1
37	18	34	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1