@<TRIPOS>MOLECULE
76970904
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5514    -1.6310     0.6299	O.2	1	noname	-0.2756
2	N1    -0.4659     1.1167     3.7619	N.3	1	noname	-0.3006
3	N2    -0.7424    -0.9204    -0.4443	N.3	1	noname	-0.1396
4	C1    -0.6608     0.8874     2.3312	C.3	1	noname	0.0150
5	C2    -1.1883    -0.5419     2.1077	C.3	1	noname	0.0369
6	C3     0.5024     0.1530     4.2825	C.3	1	noname	-0.0044
7	C4     0.0350     2.4738     3.9741	C.3	1	noname	-0.0044
8	C5    -1.6741     1.8960     1.7864	C.3	1	noname	-0.0491
9	C6    -1.4668    -1.0166     0.7261	C.2	1	noname	0.1294
10	C7     0.7064     0.3930     5.7797	C.3	1	noname	-0.0524
11	C8     1.3684     2.6453     3.2437	C.3	1	noname	-0.0524
12	C9     0.5008    -0.3891    -0.6045	C.2	1	noname	-0.0225
13	C10     1.4806    -0.5764     0.3945	C.2	1	noname	-0.0367
14	C11     0.7907     0.4558    -1.7000	C.2	1	noname	-0.0367
15	C12     2.5603     0.3173     0.4848	C.2	1	noname	-0.0546
16	C13     1.9933     1.1939    -1.7229	C.2	1	noname	-0.0546
17	C14     2.8385     1.1807    -0.5956	C.2	1	noname	-0.0625
18	H1     0.2892     1.0095     1.8109	H	1	noname	0.0469
19	H2    -2.0660    -0.7071     2.7325	H	1	noname	0.0377
20	H3    -0.3741    -1.1566     2.4915	H	1	noname	0.0377
21	H4    -0.6869     3.1923     3.5859	H	1	noname	0.0427
22	H5     0.1803     2.6448     5.0407	H	1	noname	0.0427
23	H6     0.1290    -0.8588     4.1243	H	1	noname	0.0427
24	H7     1.4524     0.2751     3.7622	H	1	noname	0.0427
25	H8    -1.8194     1.7249     0.7197	H	1	noname	0.0246
26	H9    -2.6241     1.7738     2.3067	H	1	noname	0.0246
27	H10    -1.3007     2.9077     1.9446	H	1	noname	0.0246
28	H11     1.7418     3.6571     3.4019	H	1	noname	0.0243
29	H12     1.2231     2.4743     2.1771	H	1	noname	0.0243
30	H13     2.0903     1.9268     3.6318	H	1	noname	0.0243
31	H14     1.4283    -0.3255     6.1678	H	1	noname	0.0243
32	H15    -0.2436     0.2708     6.3000	H	1	noname	0.0243
33	H16     1.0798     1.4048     5.9379	H	1	noname	0.0243
34	H17    -1.1974    -1.2301    -1.2511	H	1	noname	0.1370
35	H18     1.3648    -1.2964     1.1108	H	1	noname	0.0639
36	H19     0.1087     0.5810    -2.4650	H	1	noname	0.0639
37	H20     3.1294     0.3383     1.3414	H	1	noname	0.0623
38	H21     2.2033     1.8141    -2.5013	H	1	noname	0.0623
39	H22     3.6766     1.7826    -0.5525	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	2
2	4	2	1
3	2	6	1
4	2	7	1
5	3	9	1
6	3	12	1
7	3	34	1
8	4	5	1
9	4	8	1
10	4	18	1
11	5	9	1
12	5	19	1
13	5	20	1
14	6	10	1
15	6	23	1
16	6	24	1
17	7	11	1
18	7	21	1
19	7	22	1
20	8	25	1
21	8	26	1
22	8	27	1
23	10	31	1
24	10	32	1
25	10	33	1
26	11	28	1
27	11	29	1
28	11	30	1
29	12	13	2
30	12	14	1
31	13	15	1
32	13	35	1
33	14	16	2
34	14	36	1
35	15	17	2
36	15	37	1
37	16	17	1
38	16	38	1
39	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1