@<TRIPOS>MOLECULE
50387586
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7407     1.2376    -1.6613	O.2	1	noname	-0.2726
2	C1     1.3155     0.9816    -0.5812	C.2	1	noname	0.1107
3	N1     1.1454    -0.2450     0.0066	N.3	1	noname	-0.0990
4	C2     2.1485     1.9731     0.0349	C.2	1	noname	0.0593
5	C3     1.7522    -0.5667     1.1904	C.2	1	noname	0.0543
6	C4     0.3234    -1.2007    -0.6252	C.3	1	noname	0.0183
7	C5     2.1486     3.3839    -0.3028	C.2	1	noname	0.0143
8	C6     2.8713     1.5931     1.1884	C.2	1	noname	0.0161
9	N2     1.4982    -1.7793     1.7900	N.2	1	noname	-0.2264
10	C7     2.6611     0.3510     1.8086	C.2	1	noname	-0.0026
11	C8     1.1681    -2.0510    -1.5762	C.3	1	noname	-0.0489
12	C9    -0.7732    -0.4862    -1.4175	C.3	1	noname	-0.0489
13	C10     3.0686     4.3882     0.0451	C.2	1	noname	0.0291
14	C11     1.0880     4.1177    -0.8365	C.2	1	noname	-0.0550
15	C12     2.1012    -2.1220     2.9694	C.2	1	noname	0.0829
16	C13     3.2619    -0.0118     3.0247	C.2	1	noname	0.0258
17	N3     2.5568     5.5905    -0.2879	N.2	1	noname	-0.2966
18	N4     1.3888     5.4172    -0.8049	N.3	1	noname	-0.0145
19	N5     2.9564    -1.2374     3.5570	N.2	1	noname	-0.2493
20	N6     1.8548    -3.3097     3.5387	N.3	1	noname	-0.0801
21	C14     4.1866     0.8915     3.7034	C.3	1	noname	0.0386
22	H1    -0.0924    -1.7988     0.1857	H	1	noname	0.0471
23	H2     3.6095     2.2752     1.6103	H	1	noname	0.0639
24	H3     1.8189    -2.7060    -0.9970	H	1	noname	0.0246
25	H4     0.5123    -2.6535    -2.2045	H	1	noname	0.0246
26	H5     1.7750    -1.3991    -2.2045	H	1	noname	0.0246
27	H6    -1.4795    -0.0260    -0.7266	H	1	noname	0.0246
28	H7    -0.3248     0.2839    -2.0453	H	1	noname	0.0246
29	H8    -1.2965    -1.2074    -2.0453	H	1	noname	0.0246
30	H9     4.0453     4.2531     0.5097	H	1	noname	0.0863
31	H10     0.1482     3.7271    -1.2267	H	1	noname	0.0813
32	H11     0.8056     6.1745    -1.1313	H	1	noname	0.1747
33	H12     0.9055    -3.5797     3.7533	H	1	noname	0.1273
34	H13     2.6184    -3.9350     3.7533	H	1	noname	0.1273
35	H14     4.0749     0.7824     4.7822	H	1	noname	0.0296
36	H15     5.2095     0.6466     3.4174	H	1	noname	0.0296
37	H16     3.9657     1.9198     3.4174	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	1
7	4	8	2
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	1
12	7	13	1
13	7	14	2
14	8	10	1
15	9	15	1
16	10	16	2
17	13	17	2
18	14	18	1
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	8	23	1
26	11	24	1
27	11	25	1
28	11	26	1
29	12	27	1
30	12	28	1
31	12	29	1
32	13	30	1
33	14	31	1
34	18	32	1
35	20	33	1
36	20	34	1
37	21	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1