@<TRIPOS>MOLECULE
50327896
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8440     1.3008    -1.6197	O.2	1	noname	-0.2614
2	C1     1.3585     1.0206    -0.5154	C.2	1	noname	0.1368
3	N1     1.2666    -0.2349     0.0069	N.3	1	noname	-0.0857
4	C2     2.0654     2.0085     0.2451	C.2	1	noname	0.0980
5	C3     1.7988    -0.5911     1.2140	C.2	1	noname	0.0839
6	C4     0.5856    -1.2192    -0.7384	C.3	1	noname	0.0184
7	N2     2.6598     1.6060     1.4174	N.2	1	noname	-0.1856
8	C5     2.0477     3.4104     0.0079	C.2	1	noname	0.0236
9	N3     1.6405    -1.8612     1.6869	N.2	1	noname	-0.2177
10	C6     2.5540     0.3717     1.9454	C.2	1	noname	0.0329
11	C7     1.5746    -1.9366    -1.6593	C.3	1	noname	-0.0489
12	C8    -0.5066    -0.5566    -1.5803	C.3	1	noname	-0.0489
13	C9     2.8501     4.3715     0.6032	C.2	1	noname	0.0348
14	C10     1.0823     4.1461    -0.6812	C.2	1	noname	-0.0395
15	C11     2.2037    -2.2411     2.8699	C.2	1	noname	0.0864
16	C12     3.1119    -0.0247     3.1823	C.2	1	noname	0.0561
17	N4     2.3851     5.5787     0.2644	N.2	1	noname	-0.2921
18	N5     1.3493     5.4513    -0.4895	N.3	1	noname	0.0007
19	N6     2.9141    -1.3159     3.5914	N.2	1	noname	-0.2407
20	N7     2.0653    -3.4959     3.3191	N.3	1	noname	-0.0799
21	C13     3.8757     0.9145     3.9986	C.3	1	noname	0.0478
22	H1     0.1642    -1.8972     0.0038	H	1	noname	0.0471
23	H2     2.3102    -2.4702    -1.0573	H	1	noname	0.0246
24	H3     1.0366    -2.6458    -2.2883	H	1	noname	0.0246
25	H4     2.0817    -1.2050    -2.2883	H	1	noname	0.0246
26	H5    -1.2495    -0.1060    -0.9222	H	1	noname	0.0246
27	H6    -0.0627     0.2150    -2.2093	H	1	noname	0.0246
28	H7    -0.9859    -1.3068    -2.2093	H	1	noname	0.0246
29	H8     3.7170     4.2030     1.2421	H	1	noname	0.0863
30	H9     0.2523     3.7625    -1.2745	H	1	noname	0.0813
31	H10     0.8366     6.2366    -0.8643	H	1	noname	0.1747
32	H11     1.1437    -3.8729     3.4884	H	1	noname	0.1273
33	H12     2.8825    -4.0647     3.4884	H	1	noname	0.1273
34	H13     3.7032     0.7025     5.0538	H	1	noname	0.0296
35	H14     4.9375     0.8095     3.7757	H	1	noname	0.0296
36	H15     3.5565     1.9326     3.7757	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	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	1
12	7	10	1
13	8	13	1
14	8	14	2
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	11	23	1
26	11	24	1
27	11	25	1
28	12	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	14	30	1
33	18	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1