@<TRIPOS>MOLECULE
125255
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3514     2.5251    -1.6067	O.3	1	noname	-0.2143
2	C1    -1.2425     1.6081    -0.6219	C.2	1	noname	0.0922
3	C2    -0.8300     1.9879    -2.8134	C.3	1	noname	0.0456
4	N1    -0.1247     1.5537     0.1584	N.2	1	noname	-0.1935
5	N2    -2.2473     0.7173    -0.3866	N.2	1	noname	-0.1935
6	C3     0.0239     0.6118     1.1516	C.2	1	noname	0.0265
7	C4    -2.1483    -0.2286     0.5865	C.2	1	noname	0.0265
8	C5    -0.9851    -0.3536     1.3960	C.2	1	noname	0.0201
9	N3    -0.8128    -1.3503     2.3409	N.3	1	noname	0.0186
10	C6    -1.7583    -2.3068     2.5693	C.2	1	noname	0.0542
11	N4    -2.0991    -3.0970     1.4863	N.2	1	noname	-0.2508
12	C7    -2.5529    -2.3268     3.7631	C.2	1	noname	0.0023
13	C8    -3.2408    -3.8492     1.4515	C.2	1	noname	0.0043
14	C9    -2.2583    -1.4593     4.8605	C.2	1	noname	0.0642
15	C10    -3.7274    -3.1490     3.7210	C.2	1	noname	-0.0146
16	C11    -4.1049    -3.8724     2.5665	C.2	1	noname	-0.0448
17	N5    -0.9639    -1.0711     5.1059	N.2	1	noname	-0.2503
18	C12    -3.2528    -0.9673     5.7477	C.2	1	noname	0.0371
19	C13    -0.5548    -0.3075     6.1711	C.2	1	noname	0.0550
20	N6    -4.5841    -1.1074     5.7911	N.2	1	noname	-0.2203
21	C14    -2.8250    -0.2206     6.8392	C.2	1	noname	0.1148
22	N7    -1.5177     0.0973     7.0466	N.2	1	noname	-0.2293
23	C15     0.8474     0.0543     6.3573	C.3	1	noname	0.0663
24	C16    -4.9792    -0.4796     6.9160	C.2	1	noname	-0.0476
25	N8    -3.9234     0.0580     7.5611	N.3	1	noname	0.0020
26	H1    -0.8508     0.8992    -2.7653	H	1	noname	0.0536
27	H2    -1.4365     2.3261    -3.6536	H	1	noname	0.0536
28	H3     0.1975     2.3261    -2.9476	H	1	noname	0.0536
29	H4     0.9389     0.6303     1.7435	H	1	noname	0.0858
30	H5    -3.0050    -0.8895     0.7183	H	1	noname	0.0858
31	H6     0.0371    -1.3809     2.8857	H	1	noname	0.1358
32	H7    -3.4585    -4.4212     0.5495	H	1	noname	0.0839
33	H8    -4.3606    -3.2276     4.6047	H	1	noname	0.0631
34	H9    -5.0387    -4.4338     2.5367	H	1	noname	0.0639
35	H10     1.0694     0.1116     7.4229	H	1	noname	0.0312
36	H11     1.4821    -0.7010     5.8940	H	1	noname	0.0312
37	H12     1.0374     1.0225     5.8940	H	1	noname	0.0312
38	H13    -6.0123    -0.4153     7.2576	H	1	noname	0.1013
39	H14    -3.9504     0.5755     8.4280	H	1	noname	0.1552
@<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	19	23	1
25	20	24	2
26	21	25	1
27	21	22	1
28	24	25	1
29	3	26	1
30	3	27	1
31	3	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	23	35	1
39	23	36	1
40	23	37	1
41	24	38	1
42	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1