@<TRIPOS>MOLECULE
128737
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0661     1.5517     3.9380	O.3	1	noname	-0.3531
2	C1     0.7778     2.4266     3.1781	C.2	1	noname	0.1320
3	C2    -1.0926     1.3193     3.2803	C.2	1	noname	0.0337
4	N1     0.0876     2.7520     2.0626	N.2	1	noname	-0.2002
5	N2     1.9920     2.8992     3.4910	N.3	1	noname	-0.0643
6	C3    -1.0598     2.0571     2.0862	C.2	1	noname	0.0481
7	C4    -2.1739     0.4441     3.6071	C.2	1	noname	0.0069
8	C5    -2.0863     1.9406     1.0946	C.2	1	noname	0.0250
9	C6    -3.2189     0.3398     2.6400	C.2	1	noname	-0.0117
10	C7    -3.1684     1.0625     1.4025	C.2	1	noname	-0.0082
11	C8    -4.1973     0.9041     0.4814	C.2	1	noname	0.0170
12	N3    -5.2208     0.0835     0.7546	N.2	1	noname	-0.2073
13	C9    -4.1644     1.5969    -0.7232	C.2	1	noname	0.0170
14	C10    -6.2126    -0.0692    -0.1334	C.2	1	noname	0.0730
15	N4    -5.1563     1.4442    -1.6112	N.2	1	noname	-0.2394
16	O2    -7.2437    -0.8959     0.1420	O.3	1	noname	-0.2302
17	C11    -6.1798     0.6236    -1.3379	C.2	1	noname	0.0751
18	C12    -8.2686    -0.1700     0.8046	C.3	1	noname	0.0605
19	N5    -7.1716     0.4709    -2.2259	N.3	1	noname	-0.0986
20	C13    -9.4372    -1.1069     1.1167	C.3	1	noname	-0.0384
21	C14    -7.7195     0.4123     2.1086	C.3	1	noname	-0.0384
22	H1     2.7669     2.2622     3.6090	H	1	noname	0.1278
23	H2     2.1323     3.8924     3.6090	H	1	noname	0.1278
24	H3    -2.2000    -0.1138     4.5432	H	1	noname	0.0651
25	H4    -2.0460     2.4915     0.1549	H	1	noname	0.0653
26	H5    -4.0725    -0.3045     2.8507	H	1	noname	0.0630
27	H6    -3.3466     2.2717    -0.9759	H	1	noname	0.0863
28	H7    -8.5636     0.6169     0.1105	H	1	noname	0.0603
29	H8    -7.6785     1.2778    -2.5606	H	1	noname	0.1259
30	H9    -7.4123    -0.4512    -2.5606	H	1	noname	0.1259
31	H10    -9.5512    -1.1983     2.1968	H	1	noname	0.0257
32	H11   -10.3532    -0.7006     0.6877	H	1	noname	0.0257
33	H12    -9.2397    -2.0893     0.6877	H	1	noname	0.0257
34	H13    -7.4374    -0.3998     2.7788	H	1	noname	0.0257
35	H14    -6.8448     1.0257     1.8927	H	1	noname	0.0257
36	H15    -8.4853     1.0257     2.5834	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	6	8	1
9	7	9	2
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	12	14	1
16	13	15	2
17	14	16	1
18	14	17	2
19	15	17	1
20	16	18	1
21	17	19	1
22	18	20	1
23	18	21	1
24	5	22	1
25	5	23	1
26	7	24	1
27	8	25	1
28	9	26	1
29	13	27	1
30	18	28	1
31	19	29	1
32	19	30	1
33	20	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