@<TRIPOS>MOLECULE
76957707
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.2094    -2.3787     1.1505	N.3	1	noname	-0.1259
2	N2     2.9164    -3.0078     1.8262	N.3	1	noname	-0.3030
3	N3    -0.2549     0.3485    -0.3876	N.3	1	noname	-0.0709
4	C1     1.2415    -1.5347     0.4915	C.3	1	noname	0.0653
5	C2     2.5923    -1.6486     1.2982	C.3	1	noname	0.0194
6	C3     0.5538    -3.8127     1.2735	C.3	1	noname	0.0167
7	C4     0.9390    -0.1180     0.0275	C.2	1	noname	-0.0971
8	C5     2.0778    -4.1287     1.3366	C.3	1	noname	0.0112
9	C6    -1.0870    -1.9685     1.5589	C.2	1	noname	-0.0321
10	C7    -1.4585    -0.4036    -0.4689	C.3	1	noname	-0.0219
11	C8    -1.8986    -1.0574     0.7745	C.2	1	noname	-0.0555
12	C9     1.8538     0.9230    -0.2099	C.2	1	noname	-0.0409
13	C10     4.3250    -3.3060     1.5726	C.3	1	noname	-0.0132
14	C11    -0.1589     1.6056    -0.8369	C.2	1	noname	-0.1112
15	C12    -1.7148    -2.5450     2.7360	C.2	1	noname	-0.0661
16	C13     1.1703     2.0102    -0.7418	C.2	1	noname	-0.0481
17	C14    -3.2908    -0.8169     1.0552	C.2	1	noname	-0.0621
18	C15    -3.0970    -2.2881     3.0175	C.2	1	noname	-0.0709
19	C16    -3.8765    -1.4448     2.1777	C.2	1	noname	-0.0901
20	H1     1.4639    -2.0214    -0.4697	H	1	noname	0.0548
21	H2     2.5867    -0.9317     2.1193	H	1	noname	0.0450
22	H3     3.3954    -1.3272     0.6350	H	1	noname	0.0450
23	H4     0.0593    -4.2312     2.1500	H	1	noname	0.0448
24	H5     0.1431    -4.3505     0.4190	H	1	noname	0.0448
25	H6     2.2414    -5.0055     1.9632	H	1	noname	0.0443
26	H7     2.4153    -4.3366     0.3212	H	1	noname	0.0443
27	H8    -2.2589     0.2316    -0.8483	H	1	noname	0.0523
28	H9    -1.2004    -1.2366    -1.1228	H	1	noname	0.0523
29	H10     2.8557     0.8863    -0.0224	H	1	noname	0.0639
30	H11     4.5615    -4.2978     1.9578	H	1	noname	0.0394
31	H12     4.5148    -3.2782     0.4996	H	1	noname	0.0394
32	H13     4.9489    -2.5642     2.0712	H	1	noname	0.0394
33	H14    -0.9300     2.1723    -1.1898	H	1	noname	0.0791
34	H15    -1.1696    -3.1349     3.3646	H	1	noname	0.0639
35	H16     1.5604     2.9147    -1.0068	H	1	noname	0.0636
36	H17    -3.8436    -0.2047     0.4551	H	1	noname	0.0626
37	H18    -3.5295    -2.7180     3.8351	H	1	noname	0.0623
38	H19    -4.8632    -1.2927     2.3867	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