@<TRIPOS>MOLECULE
71587751
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9116     0.6615     0.0574	O.3	1	noname	-0.3440
2	O2    -2.4809     2.3952     0.3373	O.3	1	noname	-0.3497
3	O3    -1.6513     0.4573    -3.9325	O.3	1	noname	-0.3873
4	O4     1.3506     0.6517    -2.1473	O.3	1	noname	-0.3875
5	O5    -3.1978     1.2686    -2.0316	O.3	1	noname	-0.3849
6	C1    -0.9260     1.0930    -2.8904	C.3	1	noname	0.1133
7	C2     0.0587     0.0700    -2.2428	C.3	1	noname	0.1087
8	C3    -1.9149     1.8743    -1.9699	C.3	1	noname	0.1333
9	C4    -0.4095    -0.3885    -0.8307	C.3	1	noname	0.0866
10	C5    -1.4313     1.9161    -0.4904	C.3	1	noname	0.1862
11	C6    -1.4682    -1.4837    -0.9751	C.3	1	noname	-0.0359
12	C7    -1.9842     2.6210     1.6484	C.3	1	noname	0.0500
13	C8    -3.1152     3.1372     2.5402	C.3	1	noname	-0.0295
14	C9    -2.5801     3.3805     3.9528	C.3	1	noname	-0.0514
15	C10    -3.7110     3.8968     4.8447	C.3	1	noname	-0.0561
16	C11    -3.1759     4.1401     6.2573	C.3	1	noname	-0.0654
17	H1    -0.2535     1.8425    -3.3078	H	1	noname	0.0658
18	H2     0.1506    -0.7904    -2.9057	H	1	noname	0.0656
19	H3    -2.1039     2.8829    -2.3375	H	1	noname	0.0682
20	H4     0.4168    -0.8996    -0.3366	H	1	noname	0.0629
21	H5    -0.5871     2.6056    -0.4825	H	1	noname	0.0951
22	H6    -1.0944    -2.2654    -1.6363	H	1	noname	0.0258
23	H7    -2.3781    -1.0561    -1.3961	H	1	noname	0.0258
24	H8    -1.6862    -1.9096     0.0042	H	1	noname	0.0258
25	H9    -1.5974     1.6871     2.0562	H	1	noname	0.0567
26	H10    -1.1842     3.3604     1.6115	H	1	noname	0.0567
27	H11    -1.0264     0.1298    -4.6128	H	1	noname	0.2106
28	H12     1.9689     0.0093    -1.7407	H	1	noname	0.2106
29	H13    -3.8188     1.7592    -1.4535	H	1	noname	0.2108
30	H14    -3.9152     2.3979     2.5771	H	1	noname	0.0290
31	H15    -3.5020     4.0711     2.1324	H	1	noname	0.0290
32	H16    -2.1932     2.4467     4.3606	H	1	noname	0.0267
33	H17    -1.7800     4.1199     3.9160	H	1	noname	0.0267
34	H18    -4.5110     3.1574     4.8816	H	1	noname	0.0264
35	H19    -4.0978     4.8307     4.4369	H	1	noname	0.0264
36	H20    -3.9815     4.5078     6.8927	H	1	noname	0.0230
37	H21    -2.7890     3.2062     6.6651	H	1	noname	0.0230
38	H22    -2.3758     4.8795     6.2204	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	9	1
2	1	10	1
3	2	10	1
4	2	12	1
5	6	3	1
6	3	27	1
7	7	4	1
8	4	28	1
9	8	5	1
10	5	29	1
11	6	7	1
12	6	8	1
13	6	17	1
14	7	9	1
15	7	18	1
16	8	10	1
17	8	19	1
18	9	11	1
19	9	20	1
20	10	21	1
21	11	22	1
22	11	23	1
23	11	24	1
24	12	13	1
25	12	25	1
26	12	26	1
27	13	14	1
28	13	30	1
29	13	31	1
30	14	15	1
31	14	32	1
32	14	33	1
33	15	16	1
34	15	34	1
35	15	35	1
36	16	36	1
37	16	37	1
38	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1