@<TRIPOS>MOLECULE
50387587
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1235     1.6514     0.3118	O.2	1	noname	-0.2725
2	C1     1.0223     1.2398     0.0289	C.2	1	noname	0.1108
3	N1     1.1368     0.0744    -0.6987	N.3	1	noname	-0.0987
4	C2     2.1454     2.0018     0.4764	C.2	1	noname	0.0593
5	C3     2.4173    -0.4656    -0.8804	C.2	1	noname	0.0543
6	C4    -0.0761    -0.5577    -1.2461	C.3	1	noname	0.0241
7	C5     2.0161     3.3498     0.9413	C.2	1	noname	0.0143
8	C6     3.4335     1.4453     0.2477	C.2	1	noname	0.0162
9	N2     2.6123    -1.6864    -1.4828	N.2	1	noname	-0.2263
10	C7     3.5905     0.2164    -0.4028	C.2	1	noname	-0.0026
11	C8    -0.2868    -0.1509    -2.7262	C.3	1	noname	-0.0351
12	C9    -1.3508     0.2189    -1.7001	C.3	1	noname	-0.0351
13	C10     2.9528     4.1584     1.5862	C.2	1	noname	0.0291
14	C11     0.9981     4.2424     0.6312	C.2	1	noname	-0.0550
15	C12     3.8429    -2.2685    -1.6203	C.2	1	noname	0.0830
16	C13     4.8611    -0.3707    -0.5723	C.2	1	noname	0.0258
17	N3     2.4833     5.4131     1.6330	N.2	1	noname	-0.2966
18	N4     1.3295     5.4616     1.0671	N.3	1	noname	-0.0145
19	N5     4.9443    -1.5970    -1.1677	N.2	1	noname	-0.2493
20	N6     3.9664    -3.4757    -2.1888	N.3	1	noname	-0.0801
21	C14     6.0655     0.3195    -0.1198	C.3	1	noname	0.0386
22	H1     0.0531    -1.4178    -0.5890	H	1	noname	0.0477
23	H2     4.3258     1.9757     0.5803	H	1	noname	0.0639
24	H3     0.3298     0.6754    -3.0799	H	1	noname	0.0283
25	H4    -0.5522    -0.9620    -3.4043	H	1	noname	0.0283
26	H5    -2.2698    -0.3655    -1.7454	H	1	noname	0.0283
27	H6    -1.3878     1.2719    -1.4210	H	1	noname	0.0283
28	H7     3.9156     3.8530     1.9957	H	1	noname	0.0863
29	H8     0.0649     4.0165     0.1153	H	1	noname	0.0813
30	H9     0.7818     6.3058     0.9807	H	1	noname	0.1747
31	H10     3.1427    -4.0196    -2.4030	H	1	noname	0.1273
32	H11     4.8830    -3.8417    -2.4030	H	1	noname	0.1273
33	H12     6.0889     0.3329     0.9699	H	1	noname	0.0296
34	H13     6.9459    -0.2017    -0.4957	H	1	noname	0.0296
35	H14     6.0609     1.3426    -0.4957	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	11	12	1
18	13	17	2
19	14	18	1
20	15	19	2
21	15	20	1
22	16	21	1
23	16	19	1
24	17	18	1
25	6	22	1
26	8	23	1
27	11	24	1
28	11	25	1
29	12	26	1
30	12	27	1
31	13	28	1
32	14	29	1
33	18	30	1
34	20	31	1
35	20	32	1
36	21	33	1
37	21	34	1
38	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1