@<TRIPOS>MOLECULE
50394869
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5283    -4.1150    -2.6710	O.3	1	noname	-0.2487
2	C1    -0.6893    -3.6462    -1.7229	C.2	1	noname	0.0330
3	C2    -2.0873    -3.0250    -3.3893	C.3	1	noname	0.0440
4	N1     0.6395    -3.4569    -2.0196	N.2	1	noname	-0.2276
5	C3    -1.1881    -3.3497    -0.4168	C.2	1	noname	0.0028
6	C4     1.5673    -2.9533    -1.1309	C.2	1	noname	0.0081
7	C5    -0.2478    -2.8331     0.5070	C.2	1	noname	-0.0262
8	C6     1.1275    -2.5813     0.1782	C.2	1	noname	-0.0101
9	N2     2.0222    -1.9893     1.0369	N.3	1	noname	0.0182
10	C7     1.7122    -1.6473     2.3227	C.2	1	noname	0.0776
11	N3     0.7294    -0.6985     2.4487	N.2	1	noname	-0.2343
12	C8     2.1282    -2.3843     3.4783	C.2	1	noname	0.0531
13	C9     0.0360    -0.4576     3.5952	C.2	1	noname	0.0270
14	N4     1.4092    -2.0970     4.6224	N.2	1	noname	-0.2217
15	C10     3.1307    -3.4262     3.5071	C.2	1	noname	0.0377
16	C11     0.3647    -1.2165     4.7340	C.2	1	noname	0.0062
17	N5     3.4323    -4.0000     4.7285	N.2	1	noname	-0.2489
18	C12     3.8157    -3.8826     2.3321	C.2	1	noname	0.0037
19	C13     4.3975    -4.9558     4.9165	C.2	1	noname	0.0580
20	C14     4.8114    -4.8675     2.5218	C.2	1	noname	0.0428
21	N6     5.0678    -5.3451     3.7862	N.2	1	noname	-0.2435
22	C15     4.6910    -5.5200     6.2307	C.3	1	noname	0.0672
23	N7     5.5034    -5.3345     1.4736	N.3	1	noname	-0.1157
24	H1    -2.4675    -2.2836    -2.6866	H	1	noname	0.0535
25	H2    -1.3198    -2.5713    -4.0164	H	1	noname	0.0535
26	H3    -2.9036    -3.3836    -4.0164	H	1	noname	0.0535
27	H4    -2.2303    -3.5090    -0.1400	H	1	noname	0.0667
28	H5     2.6048    -2.8535    -1.4498	H	1	noname	0.0857
29	H6    -0.5983    -2.6195     1.5168	H	1	noname	0.0641
30	H7     2.9565    -1.7954     0.7056	H	1	noname	0.1358
31	H8    -0.7432     0.3045     3.6010	H	1	noname	0.0856
32	H9    -0.1749    -1.1249     5.6766	H	1	noname	0.0856
33	H10     3.5892    -3.4976     1.3378	H	1	noname	0.0679
34	H11     4.6774    -6.6082     6.1702	H	1	noname	0.0312
35	H12     5.6759    -5.1865     6.5576	H	1	noname	0.0312
36	H13     3.9387    -5.1865     6.9455	H	1	noname	0.0312
37	H14     5.0342    -5.5105     0.5967	H	1	noname	0.1257
38	H15     6.4941    -5.5105     1.5605	H	1	noname	0.1257
@<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	2
15	12	15	1
16	13	16	2
17	14	16	1
18	15	17	2
19	15	18	1
20	17	19	1
21	18	20	2
22	19	21	2
23	19	22	1
24	20	23	1
25	20	21	1
26	3	24	1
27	3	25	1
28	3	26	1
29	5	27	1
30	6	28	1
31	7	29	1
32	9	30	1
33	13	31	1
34	16	32	1
35	18	33	1
36	22	34	1
37	22	35	1
38	22	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1