@<TRIPOS>MOLECULE
50341061
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6443    -3.0301     2.5430	O.3	1	noname	-0.2062
2	C1     3.9026    -2.1160     1.5838	C.2	1	noname	0.1363
3	C2     3.7678    -2.4232     3.8208	C.3	1	noname	0.0456
4	N1     2.9069    -1.3743     1.0796	N.2	1	noname	-0.1608
5	N2     5.1546    -1.9502     1.1359	N.2	1	noname	-0.1941
6	C3     3.1633    -0.4669     0.1274	C.2	1	noname	0.1219
7	C4     5.4109    -1.0428     0.1838	C.2	1	noname	0.0789
8	N3     4.4153    -0.3012    -0.3205	N.2	1	noname	-0.2060
9	N4     2.1676     0.2747    -0.3768	N.3	1	noname	-0.0012
10	C5     1.0461     0.6613     0.2684	C.2	1	noname	0.0107
11	C6     2.0937     0.7775    -1.6248	C.2	1	noname	-0.0681
12	N5     0.2527     1.3977    -0.5408	N.2	1	noname	-0.2338
13	N6     0.7584     0.3557     1.5410	N.3	1	noname	0.0147
14	C7     0.8604     1.4498    -1.7400	C.2	1	noname	0.0067
15	C8     3.0080     0.6682    -2.7159	C.2	1	noname	-0.0358
16	C9     0.6248     1.4836     2.2520	C.2	1	noname	-0.0217
17	C10     0.4180     2.0174    -2.9766	C.2	1	noname	-0.0099
18	C11     2.5974     1.2642    -3.9440	C.2	1	noname	-0.0472
19	C12     0.3238     1.4192     3.6075	C.2	1	noname	-0.0286
20	C13     0.7873     2.7181     1.6341	C.2	1	noname	-0.0679
21	C14     1.3181     1.9085    -4.0768	C.2	1	noname	-0.0437
22	C15     0.1852     2.5892     4.3450	C.2	1	noname	-0.0033
23	C16     0.6488     3.8881     2.3716	C.2	1	noname	-0.0534
24	O2    -0.1071     2.5266     5.6615	O.3	1	noname	-0.2855
25	C17     0.3477     3.8236     3.7271	C.2	1	noname	-0.0528
26	H1     3.8416    -3.1969     4.5850	H	1	noname	0.0536
27	H2     4.6641    -1.8033     3.8436	H	1	noname	0.0536
28	H3     2.8924    -1.8033     4.0148	H	1	noname	0.0536
29	H4     6.4293    -0.9080    -0.1806	H	1	noname	0.1064
30	H5     0.6577    -0.5801     1.9075	H	1	noname	0.1370
31	H6     3.9662     0.1582    -2.6167	H	1	noname	0.0643
32	H7    -0.5515     2.5059    -3.0751	H	1	noname	0.0645
33	H8     3.2742     1.2266    -4.7976	H	1	noname	0.0623
34	H9     0.1963     0.4511     4.0920	H	1	noname	0.0666
35	H10     1.0234     2.7686     0.5711	H	1	noname	0.0639
36	H11     1.0223     2.3264    -5.0391	H	1	noname	0.0623
37	H12     0.7762     4.8561     1.8871	H	1	noname	0.0624
38	H13    -0.1674     1.6076     5.9326	H	1	noname	0.2181
39	H14     0.2391     4.7411     4.3055	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	6	9	1
9	7	8	1
10	9	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	2
15	11	15	1
16	12	14	1
17	13	16	1
18	14	17	1
19	15	18	2
20	16	19	2
21	16	20	1
22	17	21	2
23	18	21	1
24	19	22	1
25	20	23	2
26	22	24	1
27	22	25	2
28	23	25	1
29	3	26	1
30	3	27	1
31	3	28	1
32	7	29	1
33	13	30	1
34	15	31	1
35	17	32	1
36	18	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	23	37	1
41	24	38	1
42	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1