@<TRIPOS>MOLECULE
172191
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.4333    -4.9627     1.1971	N.2	1	noname	-0.2633
2	C1     4.8099    -5.5864     0.0223	C.2	1	noname	0.0172
3	C2     3.7444    -3.7727     1.2497	C.2	1	noname	0.0129
4	N2     5.5027    -6.7320     0.0787	N.3	1	noname	-0.1209
5	C3     4.4762    -5.0359    -1.2419	C.2	1	noname	-0.0315
6	C4     3.4256    -3.1453     0.0153	C.2	1	noname	-0.0258
7	C5     3.7628    -3.8013    -1.2109	C.2	1	noname	-0.0244
8	C6     2.8932    -1.9712     0.0023	C.1	1	noname	-0.0287
9	C7     2.2847    -0.9417    -0.0023	C.1	1	noname	-0.0199
10	C8     1.4792     0.0791    -0.0011	C.2	1	noname	0.0118
11	C9     0.0139     0.0010    -0.0000	C.2	1	noname	-0.0058
12	C10     2.1821     1.3138    -0.0001	C.2	1	noname	0.0201
13	C11    -0.7789    -1.2654    -0.0000	C.2	1	noname	-0.0230
14	C12    -0.6861     1.2732     0.0001	C.2	1	noname	-0.0223
15	N3     1.4212     2.4485     0.0001	N.2	1	noname	-0.2610
16	C13     3.6411     1.3672     0.0007	C.3	1	noname	0.0381
17	C14    -2.2299    -1.2856     0.0000	C.2	1	noname	-0.0188
18	C15    -0.1086    -2.5493    -0.0000	C.2	1	noname	-0.0222
19	C16     0.0490     2.4817    -0.0000	C.2	1	noname	-0.0097
20	C17    -2.9526    -2.5241     0.0000	C.2	1	noname	0.0027
21	C18    -0.8206    -3.7703    -0.0000	C.2	1	noname	-0.0017
22	N4    -2.1920    -3.6751    -0.0000	N.2	1	noname	-0.2605
23	C19    -4.4120    -2.5648     0.0000	C.3	1	noname	0.0317
24	H1     3.4666    -3.3507     2.2155	H	1	noname	0.0853
25	H2     5.0153    -7.6164     0.1000	H	1	noname	0.1257
26	H3     6.5122    -6.7111     0.1000	H	1	noname	0.1257
27	H4     4.7498    -5.5286    -2.1749	H	1	noname	0.0656
28	H5     3.4655    -3.3444    -2.1548	H	1	noname	0.0637
29	H6    -1.7750     1.3216     0.0002	H	1	noname	0.0645
30	H7     4.0037     1.3804     1.0286	H	1	noname	0.0296
31	H8     4.0371     0.4911    -0.5129	H	1	noname	0.0296
32	H9     3.9720     2.2698    -0.5129	H	1	noname	0.0296
33	H10    -2.7893    -0.3501     0.0000	H	1	noname	0.0648
34	H11     0.9803    -2.5989    -0.0000	H	1	noname	0.0645
35	H12    -0.4487     3.4515    -0.0001	H	1	noname	0.0839
36	H13    -0.3323    -4.7449    -0.0000	H	1	noname	0.0839
37	H14    -4.7752    -2.5749     1.0277	H	1	noname	0.0295
38	H15    -4.8000    -1.6853    -0.5138	H	1	noname	0.0295
39	H16    -4.7504    -3.4646    -0.5138	H	1	noname	0.0295
@<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	6	8	1
8	6	7	1
9	8	9	3
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	2
16	12	16	1
17	13	17	2
18	13	18	1
19	14	19	2
20	15	19	1
21	17	20	1
22	18	21	2
23	20	22	2
24	20	23	1
25	21	22	1
26	3	24	1
27	4	25	1
28	4	26	1
29	5	27	1
30	7	28	1
31	14	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	19	35	1
38	21	36	1
39	23	37	1
40	23	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1