@<TRIPOS>MOLECULE
56966108
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0973     1.9610     0.4401	O.3	1	noname	-0.2861
2	N1     3.1458    -2.1667    -3.2017	N.3	1	noname	-0.3090
3	C1     0.3216    -1.8384    -0.6995	C.3	1	noname	0.0169
4	C2     1.6131    -2.3847    -1.3115	C.3	1	noname	-0.0246
5	C3     1.9117    -1.6448    -2.6170	C.3	1	noname	0.0008
6	C4     0.0230    -2.5784     0.6059	C.3	1	noname	-0.0489
7	C5     0.4775    -0.4128    -0.4262	C.2	1	noname	-0.0469
8	C6     1.4496    -3.8787    -1.5979	C.3	1	noname	-0.0607
9	C7    -1.2685    -2.0321     1.2179	C.3	1	noname	-0.0648
10	C8     1.7312     0.1029    -0.1187	C.2	1	noname	-0.0345
11	C9    -0.6277     0.4289    -0.4734	C.2	1	noname	-0.0749
12	C10     3.4311    -1.4597    -4.4492	C.3	1	noname	-0.0136
13	C11     4.2508    -1.9681    -2.2653	C.3	1	noname	-0.0136
14	C12     1.8797     1.4602     0.1415	C.2	1	noname	-0.0034
15	C13    -0.4792     1.7862    -0.2132	C.2	1	noname	-0.0537
16	C14     0.7745     2.3019     0.0943	C.2	1	noname	-0.0396
17	H1    -0.5023    -1.9865    -1.3977	H	1	noname	0.0355
18	H2     2.4369    -2.2366    -0.6133	H	1	noname	0.0319
19	H3     1.0878    -1.7929    -3.3151	H	1	noname	0.0433
20	H4     2.0281    -0.5804    -2.4129	H	1	noname	0.0433
21	H5    -0.0934    -3.6427     0.4019	H	1	noname	0.0270
22	H6     0.8469    -2.4303     1.3041	H	1	noname	0.0270
23	H7     2.3698    -4.2679    -2.0339	H	1	noname	0.0234
24	H8     0.6258    -4.0268    -2.2961	H	1	noname	0.0234
25	H9     1.2370    -4.4058    -0.6679	H	1	noname	0.0234
26	H10    -1.4812    -2.5593     2.1479	H	1	noname	0.0231
27	H11    -2.0924    -2.1802     0.5197	H	1	noname	0.0231
28	H12    -1.1521    -0.9678     1.4220	H	1	noname	0.0231
29	H13     2.5422    -0.5148    -0.0841	H	1	noname	0.0653
30	H14    -1.5476     0.0505    -0.6990	H	1	noname	0.0625
31	H15     5.1709    -2.3572    -2.7012	H	1	noname	0.0394
32	H16     4.0381    -2.4952    -1.3352	H	1	noname	0.0394
33	H17     4.3672    -0.9037    -2.0612	H	1	noname	0.0394
34	H18     4.3512    -1.8488    -4.8851	H	1	noname	0.0394
35	H19     2.6072    -1.6078    -5.1473	H	1	noname	0.0394
36	H20     3.5475    -0.3953    -4.2451	H	1	noname	0.0394
37	H21    -1.2902     2.4039    -0.2478	H	1	noname	0.0623
38	H22     0.8835     3.2979     0.2853	H	1	noname	0.0650
39	H23     3.7591     1.2382     0.4306	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	14	1
2	1	39	1
3	2	5	1
4	2	12	1
5	2	13	1
6	3	4	1
7	3	6	1
8	3	7	1
9	3	17	1
10	4	5	1
11	4	8	1
12	4	18	1
13	5	19	1
14	5	20	1
15	6	9	1
16	6	21	1
17	6	22	1
18	7	10	2
19	7	11	1
20	8	23	1
21	8	24	1
22	8	25	1
23	9	26	1
24	9	27	1
25	9	28	1
26	10	14	1
27	10	29	1
28	11	15	2
29	11	30	1
30	12	34	1
31	12	35	1
32	12	36	1
33	13	31	1
34	13	32	1
35	13	33	1
36	14	16	2
37	15	16	1
38	15	37	1
39	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1