@<TRIPOS>MOLECULE
50332064
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     8.1299    -2.1126     0.8721	S.3	1	noname	-0.1858
2	C1     6.7954    -1.5535    -0.1412	C.2	1	noname	0.0422
3	C2     7.3473    -2.5607     2.3912	C.2	1	noname	0.0821
4	C3     5.7323    -1.7412     0.7602	C.2	1	noname	0.0445
5	C4     6.0075    -2.3032     2.0632	C.2	1	noname	0.0558
6	N1     4.5131    -1.3723     0.2666	N.3	1	noname	-0.1273
7	C5     5.1041    -2.7059     3.0221	C.2	1	noname	0.1018
8	C6     3.5336    -0.6511     0.8767	C.2	1	noname	0.1322
9	O1     3.9290    -2.9585     2.8283	O.2	1	noname	-0.2555
10	O2     5.5614    -2.8314     4.2861	O.3	1	noname	-0.2079
11	O3     3.7308    -0.0416     1.9565	O.2	1	noname	-0.2744
12	C7     2.2150    -0.5970     0.1908	C.3	1	noname	0.0473
13	C8     4.6815    -3.2428     5.3219	C.3	1	noname	0.0457
14	C9     1.0371    -0.6454     1.1003	C.2	1	noname	-0.0369
15	C10     0.4371    -1.8066     1.7128	C.2	1	noname	-0.0352
16	C11     0.5367     0.6470     1.4173	C.2	1	noname	-0.0496
17	C12    -0.5580    -1.5975     2.7650	C.2	1	noname	-0.0392
18	C13     0.7742    -3.1546     1.3518	C.2	1	noname	-0.0457
19	C14    -0.4485     0.8322     2.4149	C.2	1	noname	-0.0547
20	C15    -0.9705    -0.2854     3.1048	C.2	1	noname	-0.0470
21	C16    -1.1377    -2.6798     3.4851	C.2	1	noname	-0.0473
22	C17     0.1826    -4.2334     2.0699	C.2	1	noname	-0.0566
23	C18    -0.7517    -3.9973     3.1183	C.2	1	noname	-0.0569
24	H1     6.6527    -1.1608    -1.1479	H	1	noname	0.0756
25	H2     7.6430    -2.9351     3.3713	H	1	noname	0.0748
26	H3     4.3086    -1.6730    -0.6756	H	1	noname	0.1371
27	H4     2.1747     0.3799    -0.2911	H	1	noname	0.0411
28	H5     2.1597    -1.5041    -0.4109	H	1	noname	0.0411
29	H6     4.6491    -4.3316     5.3600	H	1	noname	0.0536
30	H7     5.0382    -2.8562     6.2766	H	1	noname	0.0536
31	H8     3.6817    -2.8562     5.1242	H	1	noname	0.0536
32	H9     0.9176     1.5171     0.8826	H	1	noname	0.0625
33	H10     1.4728    -3.3571     0.5399	H	1	noname	0.0629
34	H11    -0.8049     1.8348     2.6517	H	1	noname	0.0622
35	H12    -1.6960    -0.1345     3.9041	H	1	noname	0.0629
36	H13    -1.8524    -2.5058     4.2895	H	1	noname	0.0629
37	H14     0.4497    -5.2583     1.8125	H	1	noname	0.0622
38	H15    -1.1813    -4.8447     3.6525	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	2
5	4	6	1
6	4	5	1
7	5	7	1
8	6	8	1
9	7	9	2
10	7	10	1
11	8	11	2
12	8	12	1
13	10	13	1
14	12	14	1
15	14	15	1
16	14	16	2
17	15	17	1
18	15	18	2
19	16	19	1
20	17	20	1
21	17	21	2
22	18	22	1
23	19	20	2
24	21	23	1
25	22	23	2
26	2	24	1
27	3	25	1
28	6	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	13	30	1
33	13	31	1
34	16	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	21	36	1
39	22	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1