@<TRIPOS>MOLECULE
71748964
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.8032    -2.0842     0.2095	O.2	1	noname	-0.2698
2	O2    -8.3070     1.3403    -3.6482	O.3	1	noname	-0.2867
3	N1    -2.6656    -2.6706     1.6860	N.3	1	noname	-0.3062
4	N2    -3.7691    -1.0887    -1.4815	N.3	1	noname	-0.1403
5	C1    -2.4130    -2.2821     0.2604	C.3	1	noname	0.0817
6	C2    -1.8854    -3.4301    -0.6676	C.3	1	noname	-0.0292
7	C3    -1.3577    -4.6360     0.1382	C.3	1	noname	-0.0501
8	C4    -2.3230    -5.1454     1.2566	C.3	1	noname	-0.0406
9	C5    -3.2023    -4.0357     1.8921	C.3	1	noname	-0.0041
10	C6    -3.7043    -1.7729    -0.3126	C.2	1	noname	0.1376
11	C7    -4.8736    -0.4275    -1.9685	C.2	1	noname	-0.0492
12	C8    -5.7719     0.3750    -1.1583	C.2	1	noname	-0.0267
13	C9    -5.1319    -0.5279    -3.3688	C.2	1	noname	-0.0267
14	C10    -6.9302     0.9226    -1.7595	C.2	1	noname	-0.0418
15	C11    -6.2852     0.0673    -3.9274	C.2	1	noname	-0.0418
16	C12    -7.1906     0.7757    -3.1226	C.2	1	noname	-0.0063
17	C13    -5.6330     0.7944     0.2734	C.3	1	noname	0.0073
18	C14    -4.2506    -1.2357    -4.3369	C.3	1	noname	0.0073
19	H1    -1.6475    -1.4813     0.3013	H	1	noname	0.0562
20	H2    -2.6759    -3.8038    -1.3428	H	1	noname	0.0287
21	H3    -1.0804    -3.0448    -1.3162	H	1	noname	0.0287
22	H4    -1.1447    -5.4480    -0.5562	H	1	noname	0.0268
23	H5    -0.4136    -4.3294     0.5920	H	1	noname	0.0268
24	H6    -2.9721    -5.9344     0.8517	H	1	noname	0.0279
25	H7    -1.7170    -5.5845     2.0503	H	1	noname	0.0279
26	H8    -4.2103    -4.1133     1.4707	H	1	noname	0.0428
27	H9    -3.3115    -4.2107     2.9647	H	1	noname	0.0428
28	H10    -1.8711    -2.4807     2.3265	H	1	noname	0.1229
29	H11    -2.9725    -1.1280    -2.0413	H	1	noname	0.1371
30	H12    -7.6297     1.4579    -1.2458	H	1	noname	0.0653
31	H13    -6.5131     0.0176    -4.9219	H	1	noname	0.0653
32	H14    -4.9324     0.2705     0.9112	H	1	noname	0.0280
33	H15    -6.6154     0.8062     0.7455	H	1	noname	0.0280
34	H16    -5.3698     1.8520     0.2548	H	1	noname	0.0280
35	H17    -4.1686    -2.2850    -4.0534	H	1	noname	0.0280
36	H18    -4.6768    -1.1619    -5.3374	H	1	noname	0.0280
37	H19    -3.2611    -0.7787    -4.3288	H	1	noname	0.0280
38	H20    -8.3483     1.1498    -4.6086	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	10	2
2	2	16	1
3	2	38	1
4	3	5	1
5	3	9	1
6	3	28	1
7	4	10	1
8	4	11	1
9	4	29	1
10	5	6	1
11	5	10	1
12	5	19	1
13	6	7	1
14	6	20	1
15	6	21	1
16	7	8	1
17	7	22	1
18	7	23	1
19	8	9	1
20	8	24	1
21	8	25	1
22	9	26	1
23	9	27	1
24	11	12	2
25	11	13	1
26	12	14	1
27	12	17	1
28	13	15	2
29	13	18	1
30	14	16	2
31	14	30	1
32	15	16	1
33	15	31	1
34	17	32	1
35	17	33	1
36	17	34	1
37	18	35	1
38	18	36	1
39	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1