@<TRIPOS>MOLECULE

37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     0.8801    -5.0936     2.9491	C.3	1	noname	-0.0654
2	C2     1.1213    -4.6024     1.5052	C.3	1	noname	-0.0558
3	C3     1.6821    -3.1565     1.4687	C.3	1	noname	-0.0494
4	C4     1.9689    -2.6577     0.0252	C.3	1	noname	-0.0246
5	C5     2.1811    -1.1848    -0.0180	C.2	1	noname	-0.0092
6	C6     3.4696    -0.6590    -0.0030	C.2	1	noname	-0.0458
7	C7     3.3612     0.7149    -0.0555	C.2	1	noname	-0.0312
8	N1     4.4429     1.4719    -0.0539	N.2	1	noname	-0.2318
9	C8     5.6511     0.9406     0.0153	C.2	1	noname	0.0078
10	C9     5.8077    -0.4033     0.0769	C.2	1	noname	-0.0715
11	N2     4.7229    -1.2100     0.0702	N.3	1	noname	-0.0350
12	N3     2.0609     0.9958    -0.0946	N.3	1	noname	-0.0123
13	C10     1.2984    -0.0992    -0.0404	C.2	1	noname	-0.0597
14	C11    -0.0648    -0.0142     0.0015	C.2	1	noname	-0.0292
15	C12    -0.6978     1.2381    -0.0212	C.2	1	noname	-0.0162
16	C13    -2.0379     1.3786    -0.0477	C.2	1	noname	0.0262
17	C14    -2.8504     0.2554    -0.0445	C.2	1	noname	0.0668
18	O1    -4.0965     0.3727    -0.0923	O.2	1	noname	-0.3029
19	C15    -2.2634    -1.0006     0.0338	C.2	1	noname	0.0262
20	C16    -0.9195    -1.1141     0.0690	C.2	1	noname	-0.0162
21	H1     0.8773    -6.1835     2.9663	H	1	noname	0.0230
22	H2     1.6743    -4.7221     3.5967	H	1	noname	0.0230
23	H3    -0.0814    -4.7221     3.3034	H	1	noname	0.0230
24	H4     1.9005    -5.2435     1.0930	H	1	noname	0.0264
25	H5     0.1408    -4.5625     1.0308	H	1	noname	0.0264
26	H6     0.8900    -2.5166     1.8577	H	1	noname	0.0270
27	H7     2.6479    -3.1955     1.9724	H	1	noname	0.0270
28	H8     2.9175    -3.0978    -0.2826	H	1	noname	0.0317
29	H9     1.0681    -2.8396    -0.5609	H	1	noname	0.0317
30	H10     6.5136     1.6071     0.0215	H	1	noname	0.0850
31	H11     6.8068    -0.8356     0.1319	H	1	noname	0.0769
32	H12     4.8470    -2.2111     0.1191	H	1	noname	0.1337
33	H13     1.6939     1.9346    -0.1584	H	1	noname	0.1358
34	H14    -0.1128     2.1579    -0.0181	H	1	noname	0.0630
35	H15    -2.4578     2.3842    -0.0713	H	1	noname	0.0663
36	H16    -2.8650    -1.9089     0.0680	H	1	noname	0.0663
37	H17    -0.5132    -2.1219     0.1544	H	1	noname	0.0630
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	2
6	6	7	1
7	7	8	2
8	8	9	1
9	9	10	2
10	10	11	1
11	6	11	1
12	7	12	1
13	12	13	1
14	5	13	1
15	13	14	2
16	14	15	1
17	15	16	2
18	16	17	1
19	17	18	2
20	17	19	1
21	19	20	2
22	14	20	1
23	1	21	1
24	1	22	1
25	1	23	1
26	2	24	1
27	2	25	1
28	3	26	1
29	3	27	1
30	4	28	1
31	4	29	1
32	9	30	1
33	10	31	1
34	11	32	1
35	12	33	1
36	15	34	1
37	16	35	1
38	19	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1