@<TRIPOS>MOLECULE
76957558
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8306    -3.7513     1.0852	O.3	1	noname	-0.2792
2	N1     1.2675     0.6406    -1.5649	N.3	1	noname	-0.1303
3	C1     1.5711     1.8822    -0.8995	C.3	1	noname	0.0384
4	C2     1.0209     1.9483     0.4452	C.2	1	noname	-0.0527
5	C3     0.5946    -0.4094    -0.9882	C.2	1	noname	-0.0340
6	C4     0.1172    -0.2733     0.3575	C.2	1	noname	-0.0394
7	C5     0.3292     0.9364     1.0049	C.2	1	noname	-0.0402
8	C6     3.0882     2.0711    -0.8396	C.3	1	noname	-0.0429
9	C7     1.1146     3.0910    -1.7188	C.3	1	noname	-0.0429
10	C8     0.7179     0.9102    -2.8350	C.3	1	noname	-0.0075
11	C9     0.5216    -1.6636    -1.6687	C.2	1	noname	-0.0528
12	C10    -0.3979    -1.3927     1.0784	C.2	1	noname	-0.0227
13	C11    -0.2081     1.1158     2.3179	C.3	1	noname	-0.0394
14	C12    -0.4027    -2.6578     0.4190	C.2	1	noname	-0.0292
15	C13     0.0378    -2.7878    -0.9354	C.2	1	noname	-0.0337
16	C14     0.2674    -4.3624     1.7465	C.3	1	noname	0.0505
17	C15    -0.2175    -5.6017     2.5015	C.3	1	noname	-0.0410
18	H1     1.1609     2.7740     0.9732	H	1	noname	0.0598
19	H2     1.3616     4.0074    -1.1829	H	1	noname	0.0252
20	H3     0.0367     3.0394    -1.8728	H	1	noname	0.0252
21	H4     3.3178     3.0103    -0.3363	H	1	noname	0.0252
22	H5     3.5358     1.2444    -0.2880	H	1	noname	0.0252
23	H6     3.4918     2.0933    -1.8519	H	1	noname	0.0252
24	H7     1.6201     3.0873    -2.6844	H	1	noname	0.0252
25	H8     0.4883    -0.0290    -3.3384	H	1	noname	0.0398
26	H9    -0.1957     1.4932    -2.7193	H	1	noname	0.0398
27	H10     1.4363     1.4748    -3.4294	H	1	noname	0.0398
28	H11     0.8055    -1.7522    -2.6444	H	1	noname	0.0640
29	H12    -0.7497    -1.2916     2.0305	H	1	noname	0.0657
30	H13    -0.9019     1.9564     2.3149	H	1	noname	0.0280
31	H14    -0.7347     0.2111     2.6217	H	1	noname	0.0280
32	H15     0.6029     1.3166     3.0180	H	1	noname	0.0280
33	H16     0.0054    -3.7023    -1.3860	H	1	noname	0.0650
34	H17     0.7059    -3.6560     2.4514	H	1	noname	0.0568
35	H18     1.0172    -4.6550     1.0114	H	1	noname	0.0568
36	H19     0.6253    -6.0708     3.0091	H	1	noname	0.0254
37	H20    -0.9673    -5.3091     3.2365	H	1	noname	0.0254
38	H21    -0.6560    -6.3081     1.7966	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	14	1
2	1	16	1
3	2	3	1
4	2	5	1
5	2	10	1
6	3	4	1
7	3	8	1
8	3	9	1
9	4	7	2
10	4	18	1
11	5	6	2
12	5	11	1
13	6	7	1
14	6	12	1
15	7	13	1
16	8	21	1
17	8	22	1
18	8	23	1
19	9	19	1
20	9	20	1
21	9	24	1
22	10	25	1
23	10	26	1
24	10	27	1
25	11	15	2
26	11	28	1
27	12	14	2
28	12	29	1
29	13	30	1
30	13	31	1
31	13	32	1
32	14	15	1
33	15	33	1
34	16	17	1
35	16	34	1
36	16	35	1
37	17	36	1
38	17	37	1
39	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1