@<TRIPOS>MOLECULE
50336418
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5506    -2.0298    -0.5350	O.2	1	noname	-0.2748
2	C1     1.8453    -1.4381     0.5259	C.2	1	noname	0.0975
3	N1     3.0617    -1.7786     1.2016	N.3	1	noname	-0.1358
4	C2     0.9400    -0.4147     1.0477	C.2	1	noname	0.0320
5	C3     3.8751    -2.8183     0.8701	C.2	1	noname	-0.0201
6	C4    -0.4754    -0.6251     1.0089	C.2	1	noname	0.0692
7	C5     1.4655     0.8414     1.4511	C.2	1	noname	0.0037
8	C6     5.1925    -2.8198     1.4191	C.2	1	noname	0.0150
9	C7     3.4572    -3.8714     0.0001	C.2	1	noname	-0.0105
10	N2    -1.0170    -1.8228     0.6092	N.2	1	noname	-0.2526
11	C8    -1.3441     0.4698     1.3622	C.2	1	noname	-0.0228
12	C9     0.5944     1.8991     1.8103	C.2	1	noname	-0.0406
13	N3     6.0480    -3.8508     1.1321	N.2	1	noname	-0.2485
14	C10     4.3587    -4.9047    -0.2610	C.2	1	noname	-0.0052
15	C11    -2.3647    -2.0140     0.5348	C.2	1	noname	0.0606
16	C12    -2.7358     0.2478     1.2780	C.2	1	noname	0.0495
17	C13    -0.8113     1.7194     1.7607	C.2	1	noname	-0.0104
18	C14     5.6297    -4.8629     0.3231	C.2	1	noname	0.0553
19	C15     4.2144    -6.0382    -1.0341	C.2	1	noname	-0.0321
20	N4    -3.1872    -0.9759     0.8703	N.2	1	noname	-0.2478
21	C16    -2.9156    -3.2966     0.1071	C.3	1	noname	0.0675
22	N5    -3.6005     1.2217     1.5930	N.3	1	noname	-0.1121
23	N6     6.2703    -5.9689    -0.0617	N.3	1	noname	-0.0421
24	C17     5.4478    -6.6685    -0.8673	C.2	1	noname	-0.1132
25	H1     3.3770    -1.2314     1.9898	H	1	noname	0.1375
26	H2     2.5442     0.9947     1.4852	H	1	noname	0.0631
27	H3     5.5509    -2.0207     2.0680	H	1	noname	0.0857
28	H4     2.4676    -3.8863    -0.4567	H	1	noname	0.0647
29	H5     1.0081     2.8567     2.1266	H	1	noname	0.0623
30	H6    -1.4795     2.5381     2.0277	H	1	noname	0.0630
31	H7     3.3524    -6.3530    -1.6223	H	1	noname	0.0643
32	H8    -3.1716    -3.8924     0.9832	H	1	noname	0.0312
33	H9    -3.8111    -3.1262    -0.4907	H	1	noname	0.0312
34	H10    -2.1756    -3.8287    -0.4907	H	1	noname	0.0312
35	H11    -3.2723     2.1695     1.7117	H	1	noname	0.1258
36	H12    -4.5805     1.0080     1.7117	H	1	noname	0.1258
37	H13     7.2081    -6.2294     0.2081	H	1	noname	0.1537
38	H14     5.7403    -7.6150    -1.3219	H	1	noname	0.0789
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	2
14	10	15	1
15	11	16	2
16	11	17	1
17	12	17	2
18	13	18	2
19	14	19	1
20	14	18	1
21	15	20	2
22	15	21	1
23	16	22	1
24	16	20	1
25	18	23	1
26	19	24	2
27	23	24	1
28	3	25	1
29	7	26	1
30	8	27	1
31	9	28	1
32	12	29	1
33	17	30	1
34	19	31	1
35	21	32	1
36	21	33	1
37	21	34	1
38	22	35	1
39	22	36	1
40	23	37	1
41	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1