@<TRIPOS>MOLECULE
88552228
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6835    -2.5230    -1.9206	O.3	1	noname	-0.2138
2	O2     0.9776    -0.3632    -2.4874	O.2	1	noname	-0.2494
3	O3     3.9198    -4.2304    -0.8103	O.3	1	noname	-0.2031
4	O4     0.6289     7.2061    -0.7328	O.3	1	noname	-0.2036
5	O5     2.5925    -3.4148     0.8162	O.2	1	noname	-0.2529
6	O6    -0.6775     5.8427     0.4947	O.2	1	noname	-0.2537
7	N1     3.2840    -1.9896    -0.7724	N.3	1	noname	-0.0296
8	N2     1.2484     5.0039    -0.2929	N.3	1	noname	-0.0385
9	C1     1.4895     1.2758    -0.4556	C.3	1	noname	-0.0500
10	C2     2.6807     0.3300    -0.6213	C.3	1	noname	-0.0276
11	C3     1.9839     2.7237    -0.4572	C.3	1	noname	-0.0400
12	C4     2.1863    -1.1179    -0.6197	C.3	1	noname	0.1022
13	C5     0.7928     3.6696    -0.2915	C.3	1	noname	0.0050
14	C6     1.2517    -1.3143    -1.7240	C.2	1	noname	0.1440
15	C7     3.2480    -3.2139    -0.2290	C.2	1	noname	0.0494
16	C8     0.3740     6.0106    -0.1599	C.2	1	noname	0.0461
17	C9     3.4380    -5.5607    -0.6897	C.3	1	noname	0.0467
18	C10    -0.4444     8.0309    -1.1621	C.3	1	noname	0.0467
19	H1     0.7918     1.1292    -1.2800	H	1	noname	0.0268
20	H2     0.9865     1.0647     0.4881	H	1	noname	0.0268
21	H3     3.1838     0.5411    -1.5649	H	1	noname	0.0288
22	H4     3.3785     0.4766     0.2032	H	1	noname	0.0288
23	H5     2.4870     2.9349    -1.4008	H	1	noname	0.0279
24	H6     2.6817     2.8703     0.3673	H	1	noname	0.0279
25	H7     1.6832    -1.3290     0.3240	H	1	noname	0.0579
26	H8     0.0950     3.5230    -1.1159	H	1	noname	0.0433
27	H9     0.2897     3.4584     0.6522	H	1	noname	0.0433
28	H10     4.0653    -1.7029    -1.2708	H	1	noname	0.1343
29	H11     2.1948     5.1932    -0.3903	H	1	noname	0.1334
30	H12     0.4348    -2.8062    -2.8252	H	1	noname	0.2213
31	H13     4.1065    -6.2388    -1.2202	H	1	noname	0.0536
32	H14     2.4385    -5.6255    -1.1198	H	1	noname	0.0536
33	H15     3.3991    -5.8390     0.3635	H	1	noname	0.0536
34	H16    -0.0466     8.9482    -1.5961	H	1	noname	0.0536
35	H17    -1.0770     8.2771    -0.3093	H	1	noname	0.0536
36	H18    -1.0334     7.5006    -1.9103	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	14	1
2	1	30	1
3	2	14	2
4	3	15	1
5	3	17	1
6	4	16	1
7	4	18	1
8	5	15	2
9	6	16	2
10	12	7	1
11	7	15	1
12	7	28	1
13	8	13	1
14	8	16	1
15	8	29	1
16	9	10	1
17	9	11	1
18	9	19	1
19	9	20	1
20	10	12	1
21	10	21	1
22	10	22	1
23	11	13	1
24	11	23	1
25	11	24	1
26	12	14	1
27	12	25	1
28	13	26	1
29	13	27	1
30	17	31	1
31	17	32	1
32	17	33	1
33	18	34	1
34	18	35	1
35	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1