@<TRIPOS>MOLECULE
76969195
35 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9703     1.2824     0.8836	O.3	1	noname	-0.3324
2	O2     3.5822     2.5396    -0.8860	O.3	1	noname	-0.3371
3	N1     0.6430     2.1966    -0.1389	N.3	1	noname	-0.0123
4	N2     0.8330     1.0792    -2.0853	N.2	1	noname	-0.2070
5	C1     2.8924     1.3143    -0.5629	C.3	1	noname	0.2542
6	C2     2.6020     2.6272     1.2636	C.3	1	noname	0.1014
7	C3     1.0597     2.7826     1.1211	C.3	1	noname	-0.0290
8	C4     1.4515     1.4579    -0.9458	C.2	1	noname	-0.0020
9	C5     3.3736     3.4506     0.2188	C.3	1	noname	0.0789
10	C6     3.5512     0.0945    -1.2477	C.2	1	noname	-0.0259
11	C7    -0.4969     2.3727    -0.8148	C.2	1	noname	-0.0490
12	C8    -0.3854     1.6237    -2.0167	C.2	1	noname	0.0153
13	C9    -1.6244     3.2007    -0.5399	C.2	1	noname	-0.0320
14	C10     4.9029    -0.1652    -1.0540	C.2	1	noname	-0.0380
15	C11     2.7918    -0.7423    -2.0571	C.2	1	noname	-0.0380
16	C12    -1.4004     1.6078    -3.0063	C.2	1	noname	-0.0100
17	C13    -2.6359     3.2118    -1.5357	C.2	1	noname	-0.0473
18	C14    -2.5248     2.4413    -2.7360	C.2	1	noname	-0.0439
19	C15     5.4952    -1.2617    -1.6696	C.2	1	noname	-0.0554
20	C16     3.3840    -1.8388    -2.6727	C.2	1	noname	-0.0554
21	C17     4.7357    -2.0985    -2.4790	C.2	1	noname	-0.0603
22	H1     2.9078     2.8991     2.2721	H	1	noname	0.0645
23	H2     0.5649     2.2658     1.9435	H	1	noname	0.0501
24	H3     0.7219     3.8148     1.2144	H	1	noname	0.0501
25	H4     2.7579     4.2872    -0.1114	H	1	noname	0.0595
26	H5     4.3418     3.7954     0.5818	H	1	noname	0.0595
27	H6    -1.6994     3.7495     0.3167	H	1	noname	0.0643
28	H7     5.4602     0.4489    -0.4600	H	1	noname	0.0627
29	H8     1.7999    -0.5517    -2.1993	H	1	noname	0.0627
30	H9    -1.3312     1.0406    -3.8512	H	1	noname	0.0645
31	H10    -3.4664     3.7860    -1.3913	H	1	noname	0.0623
32	H11    -3.2771     2.4902    -3.4230	H	1	noname	0.0623
33	H12     6.4871    -1.4523    -1.5274	H	1	noname	0.0622
34	H13     2.8267    -2.4528    -3.2667	H	1	noname	0.0622
35	H14     5.1703    -2.9031    -2.9307	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	2	5	1
4	2	9	1
5	3	7	1
6	3	8	1
7	3	11	1
8	4	8	2
9	4	12	1
10	5	8	1
11	5	10	1
12	6	7	1
13	6	9	1
14	6	22	1
15	7	23	1
16	7	24	1
17	9	25	1
18	9	26	1
19	10	14	2
20	10	15	1
21	11	12	1
22	11	13	2
23	12	16	2
24	13	17	1
25	13	27	1
26	14	19	1
27	14	28	1
28	15	20	2
29	15	29	1
30	16	18	1
31	16	30	1
32	17	18	2
33	17	31	1
34	18	32	1
35	19	21	2
36	19	33	1
37	20	21	1
38	20	34	1
39	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1