@<TRIPOS>MOLECULE
73947328
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7325     0.1019     0.8436	O.3	1	noname	-0.3885
2	O2    -0.5674     2.5354    -0.4051	O.3	1	noname	-0.3871
3	O3     1.0149     3.0989    -2.6105	O.3	1	noname	-0.3827
4	O4     2.4920    -2.4193    -0.8663	O.3	1	noname	-0.3945
5	O5     1.0254     0.2025    -4.0637	O.2	1	noname	-0.2944
6	N1    -0.2479    -2.3964    -0.5814	N.3	1	noname	-0.3235
7	C1    -0.3631     0.1244    -0.5502	C.3	1	noname	0.1002
8	C2     0.2649     1.5044    -0.9160	C.3	1	noname	0.1142
9	C3     0.4398    -1.1592    -0.9594	C.3	1	noname	0.0565
10	C4     0.4590     1.8064    -2.4413	C.3	1	noname	0.1376
11	C5     1.8355    -1.2746    -0.3418	C.3	1	noname	0.0610
12	C6     1.3701     0.9272    -3.1329	C.2	1	noname	0.1451
13	H1    -1.3187     0.0557    -1.0546	H	1	noname	0.0646
14	H2     1.2146     1.6220    -0.3936	H	1	noname	0.0660
15	H3     0.5562    -1.2014    -2.0280	H	1	noname	0.0514
16	H4    -0.5124     1.8033    -2.9355	H	1	noname	0.0708
17	H5     1.7471    -1.3703     0.7404	H	1	noname	0.0580
18	H6     2.4138    -0.3823    -0.5816	H	1	noname	0.0580
19	H7    -1.1587    -2.4347    -1.0434	H	1	noname	0.1188
20	H8    -0.3789    -2.4173     0.4320	H	1	noname	0.1188
21	H9     0.0642     0.2491     1.3951	H	1	noname	0.2106
22	H10    -1.4604     2.4611    -0.8020	H	1	noname	0.2107
23	H11     2.3455     0.9061    -2.8355	H	1	noname	0.1071
24	H12     0.4118     3.7672    -2.2230	H	1	noname	0.2111
25	H13     3.3856    -2.4932    -0.4708	H	1	noname	0.2100
@<TRIPOS>BOND
1	7	1	1
2	1	21	1
3	8	2	1
4	2	22	1
5	10	3	1
6	3	24	1
7	4	11	1
8	4	25	1
9	5	12	2
10	9	6	1
11	6	19	1
12	6	20	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	1
19	9	15	1
20	10	12	1
21	10	16	1
22	11	17	1
23	11	18	1
24	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1