@<TRIPOS>MOLECULE
76957912
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0721     4.0697     0.4353	O.3	1	noname	-0.2843
2	O2    -1.7361     3.7217    -2.5375	O.3	1	noname	-0.3914
3	N1    -1.1312    -2.8485    -1.2241	N.3	1	noname	-0.3117
4	C1    -1.6516    -3.6192    -2.3522	C.3	1	noname	0.0098
5	C2    -1.8538    -1.5814    -1.1248	C.3	1	noname	-0.0003
6	C3    -0.8954    -4.9452    -2.4561	C.3	1	noname	-0.0474
7	C4    -3.1407    -3.8969    -2.1365	C.3	1	noname	-0.0474
8	C5    -1.4634    -2.8221    -3.6445	C.3	1	noname	-0.0474
9	C6    -1.3092    -0.7749     0.0557	C.3	1	noname	0.0112
10	C7    -2.0308     0.4905     0.1549	C.2	1	noname	-0.0650
11	C8    -1.5662     1.6106    -0.5245	C.2	1	noname	-0.0415
12	C9    -3.1825     0.5750     0.9286	C.2	1	noname	-0.0525
13	C10    -2.2532     2.8152    -0.4301	C.2	1	noname	-0.0166
14	C11    -3.8695     1.7796     1.0230	C.2	1	noname	-0.0302
15	C12    -3.4049     2.8998     0.3436	C.2	1	noname	0.0031
16	C13    -1.7652     3.9918    -1.1437	C.3	1	noname	0.0708
17	H1    -1.2569    -3.3809    -0.3609	H	1	noname	0.1227
18	H2    -2.9146    -1.7792    -0.9712	H	1	noname	0.0431
19	H3    -1.7197    -1.0136    -2.0455	H	1	noname	0.0431
20	H4    -1.8514    -3.3968    -4.4856	H	1	noname	0.0249
21	H5    -1.2834    -5.5198    -3.2972	H	1	noname	0.0249
22	H6    -1.0295    -5.5130    -1.5354	H	1	noname	0.0249
23	H7     0.1654    -4.7474    -2.6097	H	1	noname	0.0249
24	H8    -3.5287    -4.4715    -2.9776	H	1	noname	0.0249
25	H9    -3.6794    -2.9522    -2.0625	H	1	noname	0.0249
26	H10    -3.2748    -4.4647    -1.2159	H	1	noname	0.0249
27	H11    -2.0021    -1.8775    -3.5705	H	1	noname	0.0249
28	H12    -0.4025    -2.6243    -3.7982	H	1	noname	0.0249
29	H13    -1.4433    -1.3427     0.9764	H	1	noname	0.0329
30	H14    -0.2484    -0.5771    -0.0979	H	1	noname	0.0329
31	H15    -0.7211     1.5486    -1.0923	H	1	noname	0.0630
32	H16    -3.5234    -0.2470     1.4272	H	1	noname	0.0626
33	H17    -4.7146     1.8416     1.5908	H	1	noname	0.0650
34	H18    -2.4286     4.8349    -0.9507	H	1	noname	0.0615
35	H19    -0.7598     4.2344    -0.7995	H	1	noname	0.0615
36	H20    -4.8539     3.9554     1.0152	H	1	noname	0.2182
37	H21    -1.4086     4.5115    -3.0165	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	15	1
2	1	36	1
3	2	16	1
4	2	37	1
5	3	4	1
6	3	5	1
7	3	17	1
8	4	6	1
9	4	7	1
10	4	8	1
11	5	9	1
12	5	18	1
13	5	19	1
14	6	21	1
15	6	22	1
16	6	23	1
17	7	24	1
18	7	25	1
19	7	26	1
20	8	20	1
21	8	27	1
22	8	28	1
23	9	10	1
24	9	29	1
25	9	30	1
26	10	11	2
27	10	12	1
28	11	13	1
29	11	31	1
30	12	14	2
31	12	32	1
32	13	15	2
33	13	16	1
34	14	15	1
35	14	33	1
36	16	34	1
37	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1