@<TRIPOS>MOLECULE
71750585
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2500     0.2417     2.5859	O.2	1	noname	-0.2923
2	N1    -3.0233    -1.2670     0.4138	N.3	1	noname	-0.2934
3	C1    -3.0157     0.0200    -0.3228	C.3	1	noname	-0.0010
4	C2    -2.9830    -2.1640    -0.7712	C.3	1	noname	-0.0010
5	C3    -4.1685    -0.1735    -1.3079	C.3	1	noname	-0.0392
6	C4    -4.0118    -1.6318    -1.7655	C.3	1	noname	-0.0392
7	C5    -1.9246    -1.4553     1.4294	C.3	1	noname	0.0705
8	C6    -1.9139    -2.8527     2.1397	C.3	1	noname	-0.0420
9	C7    -2.1752    -0.3949     2.5403	C.2	1	noname	0.0982
10	C8    -1.1225    -0.1598     3.5314	C.2	1	noname	-0.0278
11	C9     0.2665    -0.4793     3.3137	C.2	1	noname	-0.0194
12	C10    -1.6068     0.3063     4.7848	C.2	1	noname	-0.0194
13	C11     1.1938    -0.3812     4.3833	C.2	1	noname	-0.0533
14	C12    -0.6957     0.4433     5.8744	C.2	1	noname	-0.0533
15	C13     0.6845     0.0836     5.6494	C.2	1	noname	-0.0372
16	C14     1.6169     0.1971     6.7671	C.3	1	noname	0.0006
17	H1    -3.2573    -3.1753    -0.4708	H	1	noname	0.0430
18	H2    -1.9824    -2.1227    -1.2016	H	1	noname	0.0430
19	H3    -3.2562     0.8325     0.3628	H	1	noname	0.0430
20	H4    -2.0611     0.1477    -0.8331	H	1	noname	0.0430
21	H5    -4.9559    -2.1590    -1.6287	H	1	noname	0.0280
22	H6    -3.6287    -1.7357    -2.7807	H	1	noname	0.0280
23	H7    -5.1173    -0.0569    -0.7843	H	1	noname	0.0280
24	H8    -4.1500     0.5383    -2.1333	H	1	noname	0.0280
25	H9    -0.9584    -1.2894     0.9314	H	1	noname	0.0550
26	H10    -1.0890    -2.8923     2.8511	H	1	noname	0.0251
27	H11    -2.8562    -2.9992     2.6676	H	1	noname	0.0251
28	H12    -1.7890    -3.6382     1.3944	H	1	noname	0.0251
29	H13     0.5827    -0.7760     2.3905	H	1	noname	0.0630
30	H14    -2.5927     0.5396     4.9033	H	1	noname	0.0630
31	H15     2.1760    -0.6283     4.2619	H	1	noname	0.0625
32	H16    -1.0093     0.7844     6.7831	H	1	noname	0.0625
33	H17     1.2872    -0.4472     7.5821	H	1	noname	0.0279
34	H18     1.6477     1.2310     7.1110	H	1	noname	0.0279
35	H19     2.6118    -0.1077     6.4427	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	9	2
2	2	3	1
3	2	4	1
4	2	7	1
5	3	5	1
6	3	19	1
7	3	20	1
8	4	6	1
9	4	17	1
10	4	18	1
11	5	6	1
12	5	23	1
13	5	24	1
14	6	21	1
15	6	22	1
16	7	8	1
17	7	9	1
18	7	25	1
19	8	26	1
20	8	27	1
21	8	28	1
22	9	10	1
23	10	11	2
24	10	12	1
25	11	13	1
26	11	29	1
27	12	14	2
28	12	30	1
29	13	15	2
30	13	31	1
31	14	15	1
32	14	32	1
33	15	16	1
34	16	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1