@<TRIPOS>MOLECULE
50327897
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7309     0.8224     1.2083	O.2	1	noname	-0.2596
2	C1     1.8850     0.9730     0.3004	C.2	1	noname	0.1439
3	N1     1.3805    -0.0903    -0.3841	N.3	1	noname	-0.0846
4	C2     1.4077     2.2618    -0.0625	C.2	1	noname	0.1151
5	C3     0.4713    -0.0150    -1.3979	C.2	1	noname	0.0845
6	C4     1.8348    -1.3731    -0.0151	C.3	1	noname	0.0184
7	N2     0.4362     2.3451    -1.0209	N.2	1	noname	-0.1783
8	C5     1.9734     3.4944     0.3576	C.2	1	noname	0.0448
9	N3     0.1072    -1.1111    -2.1386	N.2	1	noname	-0.2176
10	C6    -0.0444     1.2801    -1.7118	C.2	1	noname	0.0331
11	C7     0.9243    -1.9426     1.0745	C.3	1	noname	-0.0489
12	C8     3.2660    -1.2738     0.5166	C.3	1	noname	-0.0489
13	N4     1.3697     4.6776     0.2062	N.2	1	noname	-0.2695
14	C9     3.2248     3.7475     0.9136	C.2	1	noname	0.0125
15	C10    -0.7959    -0.9975    -3.1676	C.2	1	noname	0.0869
16	C11    -0.9858     1.3674    -2.7482	C.2	1	noname	0.0566
17	N5     2.1324     5.6375     0.6167	N.3	1	noname	-0.0068
18	C12     3.2888     5.1374     1.0884	C.2	1	noname	-0.0688
19	N6    -1.3260     0.2351    -3.4274	N.2	1	noname	-0.2406
20	N7    -1.1474    -2.0657    -3.8964	N.3	1	noname	-0.0799
21	C13    -1.5915     2.6501    -3.0939	C.3	1	noname	0.0479
22	H1     1.7865    -1.9657    -0.9286	H	1	noname	0.0471
23	H2     0.9534    -3.0317     1.0397	H	1	noname	0.0246
24	H3     1.2683    -1.6010     2.0508	H	1	noname	0.0246
25	H4    -0.0976    -1.6010     0.9094	H	1	noname	0.0246
26	H5     3.2496    -1.2750     1.6065	H	1	noname	0.0246
27	H6     3.8456    -2.1257     0.1611	H	1	noname	0.0246
28	H7     3.7225    -0.3501     0.1611	H	1	noname	0.0246
29	H8     3.9917     3.0131     1.1597	H	1	noname	0.0660
30	H9     1.8697     6.6119     0.5759	H	1	noname	0.1747
31	H10     4.0984     5.7278     1.5174	H	1	noname	0.0806
32	H11    -2.1107    -2.1948    -4.1710	H	1	noname	0.1273
33	H12    -0.4490    -2.7416    -4.1710	H	1	noname	0.1273
34	H13    -1.8462     3.1893    -2.1816	H	1	noname	0.0296
35	H14    -0.8855     3.2393    -3.6792	H	1	noname	0.0296
36	H15    -2.4950     2.4792    -3.6792	H	1	noname	0.0296
@<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	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	1
12	7	10	1
13	8	13	2
14	8	14	1
15	9	15	1
16	10	16	2
17	13	17	1
18	14	18	2
19	15	19	2
20	15	20	1
21	16	21	1
22	16	19	1
23	17	18	1
24	6	22	1
25	11	23	1
26	11	24	1
27	11	25	1
28	12	26	1
29	12	27	1
30	12	28	1
31	14	29	1
32	17	30	1
33	18	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1