@<TRIPOS>MOLECULE
76972197
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     5.2456    -1.3091    -0.1174	N.3	1	noname	-0.3062
2	N2     0.6807     2.1641     0.2973	N.3	1	noname	-0.0866
3	C1     2.3729    -1.0952     0.6157	C.3	1	noname	0.0243
4	C2     2.7853    -1.7711    -0.7360	C.3	1	noname	-0.0334
5	C3     3.4856    -0.7920     1.6737	C.3	1	noname	-0.0334
6	C4     4.2651    -2.2441    -0.7437	C.3	1	noname	-0.0015
7	C5     4.7769    -0.3634     0.9428	C.3	1	noname	-0.0015
8	C6     1.4760     0.0586     0.3907	C.2	1	noname	-0.0346
9	C7     0.1109    -0.0219     0.1610	C.2	1	noname	-0.0323
10	C8     1.7978     1.4285     0.4351	C.2	1	noname	-0.1253
11	C9     6.3935    -2.0669     0.3782	C.3	1	noname	-0.0133
12	C10    -0.3432     1.3118     0.1303	C.2	1	noname	-0.0897
13	C11    -0.7815    -1.1262    -0.0206	C.2	1	noname	-0.0399
14	C12    -1.7068     1.6453    -0.0649	C.2	1	noname	-0.0441
15	C13    -2.1564    -0.8037    -0.2271	C.2	1	noname	-0.0540
16	C14    -2.6080     0.5540    -0.2444	C.2	1	noname	-0.0512
17	H1     1.7339    -1.8535     1.0682	H	1	noname	0.0353
18	H2     3.1543     0.0138     2.3287	H	1	noname	0.0286
19	H3     3.6969    -1.7166     2.2109	H	1	noname	0.0286
20	H4     2.1312    -2.6208    -0.9317	H	1	noname	0.0286
21	H5     2.6982    -1.0057    -1.5071	H	1	noname	0.0286
22	H6     4.6378     0.6274     0.5103	H	1	noname	0.0430
23	H7     5.5593    -0.2520     1.6935	H	1	noname	0.0430
24	H8     4.3369    -3.2205    -0.2644	H	1	noname	0.0430
25	H9     4.5883    -2.4740    -1.7589	H	1	noname	0.0430
26	H10     2.7377     1.8064     0.5540	H	1	noname	0.0792
27	H11     7.1095    -1.3841     0.8355	H	1	noname	0.0394
28	H12     6.0576    -2.7915     1.1200	H	1	noname	0.0394
29	H13     6.8691    -2.5900    -0.4514	H	1	noname	0.0394
30	H14     0.6249     3.1323     0.3152	H	1	noname	0.1522
31	H15    -0.4526    -2.0915    -0.0034	H	1	noname	0.0629
32	H16    -2.0267     2.6138    -0.0763	H	1	noname	0.0642
33	H17    -2.8308    -1.5563    -0.3651	H	1	noname	0.0622
34	H18    -3.5992     0.7464    -0.3888	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	1	11	1
4	2	10	1
5	2	12	1
6	2	30	1
7	3	4	1
8	3	5	1
9	3	8	1
10	3	17	1
11	4	6	1
12	4	20	1
13	4	21	1
14	5	7	1
15	5	18	1
16	5	19	1
17	6	24	1
18	6	25	1
19	7	22	1
20	7	23	1
21	8	9	1
22	8	10	2
23	9	12	1
24	9	13	2
25	10	26	1
26	11	27	1
27	11	28	1
28	11	29	1
29	12	14	2
30	13	15	1
31	13	31	1
32	14	16	1
33	14	32	1
34	15	16	2
35	15	33	1
36	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1