@<TRIPOS>MOLECULE
76969157
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.0825    -2.7213     3.2659	N.3	1	noname	-0.1259
2	N2     2.1656    -0.4790     1.8685	N.3	1	noname	-0.3030
3	N3     2.4000    -5.2668     1.8974	N.3	1	noname	-0.0709
4	C1     1.4412    -2.9089     1.8390	C.3	1	noname	0.0653
5	C2     2.5766    -1.8833     1.5473	C.3	1	noname	0.0194
6	C3     0.3130    -1.4768     3.4515	C.3	1	noname	0.0167
7	C4     1.7074    -4.2861     1.3136	C.2	1	noname	-0.0971
8	C5     1.1244    -0.2542     2.9295	C.3	1	noname	0.0112
9	C6     1.4924    -3.5409     4.3755	C.2	1	noname	-0.0321
10	C7     3.1328    -5.1424     3.1057	C.3	1	noname	-0.0219
11	C8     2.4008    -4.6794     4.2925	C.2	1	noname	-0.0555
12	C9     1.2427    -4.7820     0.0876	C.2	1	noname	-0.0409
13	C10     3.3524     0.3184     2.1737	C.3	1	noname	-0.0132
14	C11     2.3828    -6.3738     1.1346	C.2	1	noname	-0.1112
15	C12     1.0111    -3.2493     5.7084	C.2	1	noname	-0.0661
16	C13     1.6581    -6.1001    -0.0290	C.2	1	noname	-0.0481
17	C14     2.7935    -5.4749     5.4134	C.2	1	noname	-0.0621
18	C15     1.3943    -4.0377     6.8361	C.2	1	noname	-0.0709
19	C16     2.2740    -5.1446     6.6918	C.2	1	noname	-0.0901
20	H1     0.6043    -2.5719     1.2136	H	1	noname	0.0548
21	H2     2.8628    -1.9470     0.4975	H	1	noname	0.0450
22	H3     3.4453    -2.1466     2.1506	H	1	noname	0.0450
23	H4    -0.6286    -1.5473     2.9071	H	1	noname	0.0448
24	H5     0.0798    -1.3181     4.5044	H	1	noname	0.0448
25	H6     0.4365     0.5261     2.6039	H	1	noname	0.0443
26	H7     1.6850     0.1210     3.7856	H	1	noname	0.0443
27	H8     3.6273    -6.0876     3.3297	H	1	noname	0.0523
28	H9     3.8205    -4.3224     2.8990	H	1	noname	0.0523
29	H10     0.6946    -4.2638    -0.5991	H	1	noname	0.0639
30	H11     3.0534     1.3402     2.4074	H	1	noname	0.0394
31	H12     3.8700    -0.1136     3.0302	H	1	noname	0.0394
32	H13     4.0186     0.3231     1.3110	H	1	noname	0.0394
33	H14     2.8243    -7.2637     1.3661	H	1	noname	0.0791
34	H15     0.3810    -2.4591     5.8465	H	1	noname	0.0639
35	H16     1.4732    -6.7377    -0.8034	H	1	noname	0.0636
36	H17     3.4322    -6.2615     5.2969	H	1	noname	0.0626
37	H18     1.0308    -3.8026     7.7596	H	1	noname	0.0623
38	H19     2.5318    -5.7011     7.5067	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	1	9	1
4	2	5	1
5	2	8	1
6	2	13	1
7	3	7	1
8	3	10	1
9	3	14	1
10	4	5	1
11	4	7	1
12	4	20	1
13	5	21	1
14	5	22	1
15	6	8	1
16	6	23	1
17	6	24	1
18	7	12	2
19	8	25	1
20	8	26	1
21	9	11	1
22	9	15	2
23	10	11	1
24	10	27	1
25	10	28	1
26	11	17	2
27	12	16	1
28	12	29	1
29	13	30	1
30	13	31	1
31	13	32	1
32	14	16	2
33	14	33	1
34	15	18	1
35	15	34	1
36	16	35	1
37	17	19	1
38	17	36	1
39	18	19	2
40	18	37	1
41	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1