@<TRIPOS>MOLECULE
50362946
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8128     0.8651    -1.6488	O.2	1	noname	-0.2497
2	C1     1.8022     0.5049    -1.0073	C.2	1	noname	0.1392
3	N1     0.7394    -0.1126    -1.5639	N.3	1	noname	-0.0767
4	N2     1.6497     0.6895     0.3218	N.3	1	noname	-0.0857
5	C2    -0.1201    -0.3239    -0.5570	C.2	1	noname	0.0949
6	C3     0.5687    -0.4620    -2.9192	C.3	1	noname	0.0194
7	C4     0.4698     0.1360     0.6247	C.2	1	noname	0.0835
8	N3    -1.3564    -0.9080    -0.5124	N.2	1	noname	-0.2015
9	C5     1.1188    -1.8699    -3.1561	C.3	1	noname	-0.0488
10	C6    -0.9201    -0.4304    -3.2704	C.3	1	noname	-0.0488
11	N4    -0.1856    -0.0458     1.8169	N.2	1	noname	-0.2045
12	C7    -2.0356    -1.0793     0.6680	C.2	1	noname	0.0498
13	C8    -1.4170    -0.6476     1.8828	C.2	1	noname	0.0365
14	C9    -3.2983    -1.6602     0.6823	C.2	1	noname	-0.0409
15	C10    -4.1427    -1.5147    -0.4123	C.2	1	noname	-0.0207
16	C11    -3.7167    -2.3865     1.7911	C.2	1	noname	-0.0207
17	C12    -5.4054    -2.0956    -0.3980	C.2	1	noname	-0.0231
18	C13    -4.9795    -2.9674     1.8054	C.2	1	noname	-0.0231
19	C14    -5.8238    -2.8220     0.7108	C.2	1	noname	0.0104
20	O2    -7.0502    -3.3861     0.7246	O.3	1	noname	-0.2848
21	H1     2.2868     1.1472     0.9580	H	1	noname	0.1401
22	H2     1.1289     0.2871    -3.4789	H	1	noname	0.0471
23	H3     1.3074    -2.3524    -2.1971	H	1	noname	0.0246
24	H4     0.3915    -2.4540    -3.7200	H	1	noname	0.0246
25	H5     2.0494    -1.8062    -3.7200	H	1	noname	0.0246
26	H6    -1.5095    -0.4179    -2.3536	H	1	noname	0.0246
27	H7    -1.1369     0.4644    -3.8540	H	1	noname	0.0246
28	H8    -1.1746    -1.3152    -3.8540	H	1	noname	0.0246
29	H9    -1.8841    -0.7772     2.8591	H	1	noname	0.0863
30	H10    -3.8146    -0.9451    -1.2818	H	1	noname	0.0630
31	H11    -3.0546    -2.5006     2.6494	H	1	noname	0.0630
32	H12    -6.0675    -1.9816    -1.2563	H	1	noname	0.0650
33	H13    -5.3075    -3.5370     2.6749	H	1	noname	0.0650
34	H14    -7.3324    -3.5160     1.6330	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	7	2
9	6	9	1
10	6	10	1
11	7	11	1
12	8	12	2
13	11	13	2
14	12	14	1
15	12	13	1
16	14	15	2
17	14	16	1
18	15	17	1
19	16	18	2
20	17	19	2
21	18	19	1
22	19	20	1
23	4	21	1
24	6	22	1
25	9	23	1
26	9	24	1
27	9	25	1
28	10	26	1
29	10	27	1
30	10	28	1
31	13	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1