@<TRIPOS>MOLECULE
50270042
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1485     4.0072     0.9520	O.2	1	noname	-0.2955
2	C1     2.4818     3.7883    -0.0825	C.2	1	noname	0.0630
3	C2     1.7161     2.6327    -0.1843	C.2	1	noname	-0.0244
4	C3     2.5062     4.7005    -1.1310	C.2	1	noname	-0.0165
5	C4     2.1505     1.4590     0.5060	C.2	1	noname	0.0333
6	C5     0.5241     2.6659    -0.9764	C.2	1	noname	-0.0136
7	C6     3.2719     5.8561    -1.0292	C.2	1	noname	-0.0187
8	C7     1.7648     4.4571    -2.2813	C.2	1	noname	-0.0187
9	O2     3.2797     1.4670     1.2458	O.3	1	noname	-0.2779
10	C8     1.3526     0.2721     0.3907	C.2	1	noname	-0.0275
11	C9    -0.2537     1.4746    -1.0854	C.2	1	noname	-0.0658
12	C10     3.2962     6.7683    -2.0777	C.2	1	noname	-0.0476
13	C11     1.7891     5.3693    -3.3298	C.2	1	noname	-0.0476
14	C12     0.1434     0.2540    -0.4069	C.2	1	noname	-0.0069
15	C13     2.5548     6.5249    -3.2280	C.2	1	noname	-0.0420
16	N1    -0.6394    -0.9040    -0.4888	N.3	1	noname	-0.1277
17	C14    -0.0369    -2.1822    -0.8848	C.3	1	noname	0.0267
18	C15    -2.0602    -0.8603    -0.1577	C.3	1	noname	0.0267
19	C16    -0.9635    -3.0042    -1.8356	C.3	1	noname	0.0599
20	C17    -2.9085    -1.5797    -1.2485	C.3	1	noname	0.0599
21	O3    -2.0863    -2.1904    -2.2773	O.3	1	noname	-0.3786
22	H1     0.2153     3.5787    -1.4857	H	1	noname	0.0631
23	H2     3.8532     6.0470    -0.1272	H	1	noname	0.0630
24	H3     1.1643     3.5509    -2.3611	H	1	noname	0.0630
25	H4     3.0514     1.4654     2.1783	H	1	noname	0.2182
26	H5     1.6696    -0.6286     0.9164	H	1	noname	0.0667
27	H6    -1.1589     1.4971    -1.6922	H	1	noname	0.0639
28	H7     3.8966     7.6745    -1.9979	H	1	noname	0.0622
29	H8     1.2077     5.1785    -4.2319	H	1	noname	0.0622
30	H9     2.5739     7.2403    -4.0502	H	1	noname	0.0622
31	H10     0.8525    -1.9110    -1.4535	H	1	noname	0.0458
32	H11     0.0602    -2.7478     0.0419	H	1	noname	0.0458
33	H12    -2.1577    -1.4313     0.7657	H	1	noname	0.0458
34	H13    -2.3271     0.1963    -0.1759	H	1	noname	0.0458
35	H14    -0.3977    -3.2294    -2.7397	H	1	noname	0.0579
36	H15    -1.4052    -3.8129    -1.2535	H	1	noname	0.0579
37	H16    -3.4187    -2.4142    -0.7675	H	1	noname	0.0579
38	H17    -3.4854    -0.8157    -1.7698	H	1	noname	0.0579
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	7	12	1
12	8	13	2
13	10	14	2
14	11	14	1
15	12	15	2
16	13	15	1
17	14	16	1
18	16	17	1
19	16	18	1
20	17	19	1
21	18	20	1
22	19	21	1
23	20	21	1
24	6	22	1
25	7	23	1
26	8	24	1
27	9	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	13	29	1
32	15	30	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
37	19	35	1
38	19	36	1
39	20	37	1
40	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1