@<TRIPOS>MOLECULE
101417393
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0954    -1.3959     0.4067	O.3	1	noname	-0.2646
2	O2     1.2822    -0.3482    -2.5030	O.2	1	noname	-0.2971
3	O3    -3.9738    -1.5732    -3.0589	O.3	1	noname	-0.3918
4	O4     1.0446     4.5241    -0.1993	O.3	1	noname	-0.3915
5	C1    -0.2740     0.5313    -0.8759	C.2	1	noname	0.0135
6	C2    -0.8013    -0.0572     0.3278	C.2	1	noname	0.0372
7	C3    -1.9951    -1.7140    -1.8423	C.2	1	noname	-0.0007
8	C4    -2.2658    -1.6936    -0.4112	C.3	1	noname	0.0771
9	C5    -0.4447     2.7405     0.1624	C.2	1	noname	-0.0423
10	C6    -0.1234     1.9473    -0.9824	C.2	1	noname	-0.0011
11	C7     0.1299    -0.3251    -2.0190	C.2	1	noname	0.0766
12	C8    -0.9823    -1.1394    -2.5118	C.2	1	noname	0.0405
13	C9    -1.0884     0.7304     1.4895	C.2	1	noname	-0.0148
14	C10    -0.9018     2.1364     1.3819	C.2	1	noname	-0.0240
15	C11    -2.9318    -2.4424    -2.6404	C.3	1	noname	0.0669
16	C12    -0.3053     4.1920     0.0903	C.3	1	noname	0.0683
17	H1    -3.0508    -0.9673    -0.2003	H	1	noname	0.0621
18	H2    -2.6800    -2.6706    -0.1624	H	1	noname	0.0621
19	H3     0.2028     2.3787    -1.8472	H	1	noname	0.0635
20	H4    -0.9890    -1.2898    -3.4902	H	1	noname	0.0664
21	H5    -1.4126     0.3015     2.3563	H	1	noname	0.0650
22	H6    -1.0971     2.7286     2.1891	H	1	noname	0.0627
23	H7    -3.3530    -3.2580    -2.0526	H	1	noname	0.0612
24	H8    -2.4247    -2.8493    -3.5153	H	1	noname	0.0612
25	H9    -0.9519     4.5804    -0.6967	H	1	noname	0.0614
26	H10    -0.5910     4.6324     1.0456	H	1	noname	0.0614
27	H11    -4.6157    -2.0724    -3.6058	H	1	noname	0.2104
28	H12     1.1381     5.4985    -0.2477	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	6	1
2	1	8	1
3	2	11	2
4	3	15	1
5	3	27	1
6	4	16	1
7	4	28	1
8	5	6	2
9	5	10	1
10	5	11	1
11	6	13	1
12	7	8	1
13	7	12	2
14	7	15	1
15	8	17	1
16	8	18	1
17	9	10	2
18	9	14	1
19	9	16	1
20	10	19	1
21	11	12	1
22	12	20	1
23	13	14	2
24	13	21	1
25	14	22	1
26	15	23	1
27	15	24	1
28	16	25	1
29	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1