@<TRIPOS>MOLECULE
50394879
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3749     2.5649    -1.5619	O.3	1	noname	-0.2487
2	C1    -1.2492     1.6097    -0.6162	C.2	1	noname	0.0326
3	C2    -0.8233     2.0968    -2.7838	C.3	1	noname	0.0440
4	N1    -0.1138     1.5730     0.1766	N.2	1	noname	-0.2277
5	C3    -2.2747     0.6575    -0.4435	C.2	1	noname	0.0027
6	C4     0.1171     0.6188     1.1524	C.2	1	noname	0.0076
7	C5    -2.0549    -0.3203     0.5564	C.2	1	noname	-0.0266
8	C6    -0.8596    -0.3894     1.3517	C.2	1	noname	-0.0101
9	N2    -0.6414    -1.4013     2.2640	N.3	1	noname	0.0112
10	C7    -1.5270    -2.4210     2.4818	C.2	1	noname	0.0517
11	N3    -1.8396    -3.1975     1.3840	N.2	1	noname	-0.2517
12	C8    -2.3040    -2.5133     3.6841	C.2	1	noname	0.0012
13	C9    -2.9365    -4.0131     1.3402	C.2	1	noname	0.0016
14	C10    -2.0418    -1.6633     4.7999	C.2	1	noname	0.0412
15	C11    -3.4279    -3.3999     3.6333	C.2	1	noname	-0.0175
16	C12    -3.7796    -4.1138     2.4660	C.2	1	noname	-0.0457
17	N4    -0.7678    -1.2125     5.0438	N.2	1	noname	-0.2170
18	C13    -3.0524    -1.2496     5.7136	C.2	1	noname	0.0768
19	C14    -0.3867    -0.4565     6.1231	C.2	1	noname	0.0363
20	N5    -4.3717    -1.4633     5.7659	N.3	1	noname	-0.0197
21	C15    -2.6506    -0.5104     6.8179	C.2	1	noname	0.0891
22	N6    -1.3601    -0.1274     7.0199	N.2	1	noname	-0.1875
23	C16    -4.7869    -0.8870     6.9116	C.2	1	noname	-0.0351
24	N7    -3.7537    -0.3098     7.5590	N.2	1	noname	-0.1938
25	H1    -0.8216     1.0068    -2.7876	H	1	noname	0.0535
26	H2    -1.4236     2.4621    -3.6170	H	1	noname	0.0535
27	H3     0.1987     2.4621    -2.8846	H	1	noname	0.0535
28	H4    -3.1825     0.6763    -1.0465	H	1	noname	0.0667
29	H5     1.0332     0.6598     1.7415	H	1	noname	0.0857
30	H6    -2.8433    -1.0547     0.7218	H	1	noname	0.0641
31	H7     0.2135    -1.3952     2.8018	H	1	noname	0.1358
32	H8    -3.1350    -4.5721     0.4257	H	1	noname	0.0839
33	H9    -4.0429    -3.5375     4.5226	H	1	noname	0.0631
34	H10    -4.6799    -4.7275     2.4347	H	1	noname	0.0639
35	H11     0.6444    -0.1315     6.2620	H	1	noname	0.1062
36	H12    -4.9339    -1.9546     5.0858	H	1	noname	0.1538
37	H13    -5.8176    -0.8876     7.2662	H	1	noname	0.1014
@<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	7	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	14	18	1
19	15	16	1
20	17	19	1
21	18	20	1
22	18	21	2
23	19	22	2
24	20	23	1
25	21	24	1
26	21	22	1
27	23	24	2
28	3	25	1
29	3	26	1
30	3	27	1
31	5	28	1
32	6	29	1
33	7	30	1
34	9	31	1
35	13	32	1
36	15	33	1
37	16	34	1
38	19	35	1
39	20	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1