@<TRIPOS>MOLECULE
72941529
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7145     5.3329    -2.4808	O.3	1	noname	-0.3916
2	O2    -0.5842     1.3578    -1.3578	O.2	1	noname	-0.2882
3	O3     3.4271     2.2528     1.0904	O.3	1	noname	-0.2138
4	O4     1.2060     1.2636    -5.3768	O.2	1	noname	-0.2895
5	O5     2.9103     1.1760     2.9445	O.2	1	noname	-0.2493
6	N1     1.0209     0.7305     0.0866	N.3	1	noname	-0.0551
7	N2     1.5186     2.1900    -3.2786	N.3	1	noname	-0.0554
8	N3     1.3803    -0.9522    -2.8720	N.3	1	noname	-0.3229
9	C1     1.5172     2.2852    -1.8314	C.3	1	noname	0.0934
10	C2     1.1375     3.7692    -1.5748	C.3	1	noname	-0.0011
11	C3     1.5889     4.5337    -2.8218	C.3	1	noname	0.0693
12	C4     1.1102     1.3914     1.3549	C.3	1	noname	0.1028
13	C5     1.9565     3.4376    -3.8284	C.3	1	noname	0.0328
14	C6     0.6325     1.3939    -1.0455	C.2	1	noname	0.0546
15	C7     0.9834    -0.6942     0.1892	C.3	1	noname	0.0068
16	C8     0.2216     0.4340     2.1998	C.3	1	noname	-0.0263
17	C9     0.4457    -0.9696     1.5978	C.3	1	noname	-0.0379
18	C10     1.1230     1.1439    -4.1244	C.2	1	noname	0.0530
19	C11     2.5184     1.5650     1.8294	C.2	1	noname	0.1441
20	C12     0.5082    -0.1538    -3.7491	C.3	1	noname	0.0677
21	H1     2.5500     2.1649    -1.4731	H	1	noname	0.0569
22	H2     0.0561     3.8544    -1.4681	H	1	noname	0.0314
23	H3     1.5837     4.1616    -0.6610	H	1	noname	0.0314
24	H4     0.7777     5.1522    -3.2147	H	1	noname	0.0614
25	H5     0.6514     2.3896     1.3247	H	1	noname	0.0580
26	H6     1.4395     3.6210    -4.7702	H	1	noname	0.0462
27	H7     3.0376     3.3938    -3.9601	H	1	noname	0.0462
28	H8     0.2884    -1.0934    -0.5495	H	1	noname	0.0436
29	H9     1.9936    -1.0864     0.0716	H	1	noname	0.0436
30	H10    -0.8254     0.7151     2.0862	H	1	noname	0.0288
31	H11     0.4550     0.4756     3.2637	H	1	noname	0.0288
32	H12    -0.5088    -1.4911     1.5269	H	1	noname	0.0280
33	H13     1.2044    -1.4948     2.1781	H	1	noname	0.0280
34	H14     3.0146     5.8286    -3.2711	H	1	noname	0.2104
35	H15    -0.4434     0.0262    -3.2489	H	1	noname	0.0522
36	H16     0.3081    -0.7181    -4.6599	H	1	noname	0.0522
37	H17     4.3261     2.4045     1.4571	H	1	noname	0.2213
38	H18     0.9166    -1.8332    -2.6411	H	1	noname	0.1188
39	H19     1.5687    -0.4311    -2.0132	H	1	noname	0.1188
@<TRIPOS>BOND
1	11	1	1
2	1	34	1
3	2	14	2
4	3	19	1
5	3	37	1
6	4	18	2
7	5	19	2
8	6	12	1
9	6	14	1
10	6	15	1
11	7	9	1
12	7	13	1
13	7	18	1
14	8	20	1
15	8	38	1
16	8	39	1
17	9	10	1
18	9	14	1
19	9	21	1
20	10	11	1
21	10	22	1
22	10	23	1
23	11	13	1
24	11	24	1
25	12	16	1
26	12	19	1
27	12	25	1
28	13	26	1
29	13	27	1
30	15	17	1
31	15	28	1
32	15	29	1
33	16	17	1
34	16	30	1
35	16	31	1
36	17	32	1
37	17	33	1
38	18	20	1
39	20	35	1
40	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1