@<TRIPOS>MOLECULE
76957863
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2945    -2.9804    -0.5783	O.3	1	noname	-0.2010
2	O2    -1.4633    -5.0581    -1.4310	O.2	1	noname	-0.2547
3	N1    -2.7346    -0.7089    -1.1939	N.3	1	noname	-0.3110
4	C1    -1.6268    -0.5964    -0.1880	C.3	1	noname	0.0380
5	C2    -1.0577     0.8709     0.0203	C.3	1	noname	-0.0348
6	C3    -1.9713     1.9637    -0.5733	C.3	1	noname	-0.0505
7	C4    -0.6060    -1.7267    -0.5391	C.3	1	noname	0.1075
8	C5    -2.4504     1.6621    -2.0248	C.3	1	noname	-0.0406
9	C6    -2.6355     0.1685    -2.3952	C.3	1	noname	-0.0044
10	C7     0.5562    -1.7613     0.3955	C.2	1	noname	-0.0414
11	C8     0.4666    -2.4683     1.6430	C.2	1	noname	-0.0484
12	C9     1.7376    -0.9858     0.0911	C.2	1	noname	-0.0484
13	C10    -0.8617    -3.9629    -1.3968	C.2	1	noname	0.1410
14	C11     1.5246    -2.3761     2.6047	C.2	1	noname	-0.0582
15	C12     2.7950    -0.8825     1.0463	C.2	1	noname	-0.0582
16	C13     2.6625    -1.5763     2.2900	C.2	1	noname	-0.0610
17	C14     0.3089    -3.7463    -2.2419	C.3	1	noname	0.0221
18	H1    -2.0490    -0.8396     0.7900	H	1	noname	0.0495
19	H2    -0.9130     1.0568     1.0845	H	1	noname	0.0283
20	H3    -0.1180     0.9199    -0.5299	H	1	noname	0.0283
21	H4    -2.8374     2.1039     0.0734	H	1	noname	0.0267
22	H5    -1.4585     2.9252    -0.5479	H	1	noname	0.0267
23	H6    -0.2684    -1.5932    -1.5711	H	1	noname	0.0678
24	H7    -3.3762     2.2027    -2.2216	H	1	noname	0.0279
25	H8    -1.7022     2.0419    -2.7206	H	1	noname	0.0279
26	H9    -3.5323     0.0536    -3.0040	H	1	noname	0.0428
27	H10    -1.7370    -0.1353    -2.9323	H	1	noname	0.0428
28	H11    -3.6323    -0.5526    -0.7310	H	1	noname	0.1226
29	H12    -0.3545    -3.0388     1.8451	H	1	noname	0.0626
30	H13     1.8164    -0.5109    -0.8082	H	1	noname	0.0626
31	H14     1.4651    -2.8713     3.4944	H	1	noname	0.0622
32	H15     3.6262    -0.3263     0.8456	H	1	noname	0.0622
33	H16     3.4109    -1.4960     2.9785	H	1	noname	0.0622
34	H17     0.0271    -3.8594    -3.2888	H	1	noname	0.0336
35	H18     0.6955    -2.7407    -2.0763	H	1	noname	0.0336
36	H19     1.0780    -4.4770    -1.9917	H	1	noname	0.0336
@<TRIPOS>BOND
1	7	1	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	9	1
6	3	28	1
7	4	5	1
8	4	7	1
9	4	18	1
10	5	6	1
11	5	19	1
12	5	20	1
13	6	8	1
14	6	21	1
15	6	22	1
16	7	10	1
17	7	23	1
18	8	9	1
19	8	24	1
20	8	25	1
21	9	26	1
22	9	27	1
23	10	11	2
24	10	12	1
25	11	14	1
26	11	29	1
27	12	15	2
28	12	30	1
29	13	17	1
30	14	16	2
31	14	31	1
32	15	16	1
33	15	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1