@<TRIPOS>MOLECULE
25116
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.0618    -0.7423     0.5548	N.2	1	noname	-0.2587
2	C1    -0.7459    -1.0949     0.3702	C.2	1	noname	0.0616
3	C2    -2.5335     0.5488     0.4752	C.2	1	noname	0.0605
4	N2    -0.3447    -2.3703     0.4590	N.3	1	noname	-0.1091
5	C3     0.1636    -0.0552     0.0833	C.2	1	noname	0.0014
6	N3    -1.6492     1.5591     0.1925	N.2	1	noname	-0.2413
7	C4    -0.3347     1.2438     0.0082	C.2	1	noname	0.1193
8	C5     1.5267    -0.0043    -0.1485	C.2	1	noname	0.0505
9	N4     0.7037     2.0406    -0.2638	N.3	1	noname	0.0305
10	N5     1.7763     1.3074    -0.3552	N.2	1	noname	-0.3029
11	C6     2.4311    -1.0597    -0.1649	C.2	1	noname	-0.0369
12	C7     0.6472     3.4402    -0.4247	C.3	1	noname	-0.0064
13	C8     3.7764    -0.8182    -0.4178	C.2	1	noname	-0.0301
14	C9     1.9902    -2.3565     0.0716	C.2	1	noname	-0.0301
15	C10     1.5437     4.1101     0.6187	C.3	1	noname	-0.0421
16	C11     1.1316     3.8123    -1.8275	C.3	1	noname	-0.0421
17	C12    -0.7947     3.9171    -0.2398	C.3	1	noname	-0.0421
18	C13     4.6809    -1.8736    -0.4341	C.2	1	noname	-0.0568
19	C14     2.8947    -3.4119     0.0552	C.2	1	noname	-0.0568
20	C15     4.2400    -3.1705    -0.1977	C.2	1	noname	-0.0438
21	C16     5.1900    -4.2790    -0.2149	C.3	1	noname	-0.0004
22	H1    -3.5895     0.7676     0.6334	H	1	noname	0.1062
23	H2    -1.0279    -3.1135     0.4924	H	1	noname	0.1258
24	H3     0.6409    -2.5885     0.4924	H	1	noname	0.1258
25	H4     4.1222     0.1987    -0.6032	H	1	noname	0.0629
26	H5     0.9353    -2.5459     0.2699	H	1	noname	0.0629
27	H6     1.1952     3.8497     1.6181	H	1	noname	0.0253
28	H7     2.5700     3.7660     0.4906	H	1	noname	0.0253
29	H8     1.5045     5.1918     0.4906	H	1	noname	0.0253
30	H9     1.3281     2.9038    -2.3969	H	1	noname	0.0253
31	H10     0.3645     4.3990    -2.3330	H	1	noname	0.0253
32	H11     2.0471     4.3990    -1.7521	H	1	noname	0.0253
33	H12    -1.0193     3.9914     0.8242	H	1	noname	0.0253
34	H13    -0.9167     4.8948    -0.7060	H	1	noname	0.0253
35	H14    -1.4756     3.2049    -0.7060	H	1	noname	0.0253
36	H15     5.7358    -1.6843    -0.6324	H	1	noname	0.0625
37	H16     2.5489    -4.4289     0.2406	H	1	noname	0.0625
38	H17     5.4343    -4.5641     0.8084	H	1	noname	0.0279
39	H18     4.7466    -5.1294    -0.7330	H	1	noname	0.0279
40	H19     6.0982    -3.9711    -0.7330	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	1
13	9	10	1
14	11	13	2
15	11	14	1
16	12	15	1
17	12	16	1
18	12	17	1
19	13	18	1
20	14	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	3	22	1
25	4	23	1
26	4	24	1
27	13	25	1
28	14	26	1
29	15	27	1
30	15	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	17	34	1
37	17	35	1
38	18	36	1
39	19	37	1
40	21	38	1
41	21	39	1
42	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1