@<TRIPOS>MOLECULE
DB01744
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3922    -0.8917    -2.6405	O.2	1	noname	-0.2970
2	C1    -0.5283    -0.8137    -1.4003	C.2	1	noname	0.1374
3	C2     0.5574    -0.8633    -0.2883	C.3	1	noname	0.0315
4	C3    -1.8275    -0.6416    -0.5642	C.3	1	noname	0.0100
5	C4    -0.1650    -1.6592     0.7943	C.3	1	noname	-0.0198
6	C5     0.8000     0.4897     0.4432	C.3	1	noname	-0.0401
7	C6     1.8453    -1.5455    -0.7482	C.3	1	noname	-0.0522
8	C7    -1.2750    -0.6251     0.8836	C.3	1	noname	-0.0284
9	C8    -0.7196    -2.9520     0.1926	C.3	1	noname	-0.0587
10	C9     0.6545    -1.8524     2.0718	C.3	1	noname	-0.0587
11	C10    -0.5163     0.6759     1.2488	C.3	1	noname	-0.0485
12	H1    -2.2490     0.3399    -0.7813	H	1	noname	0.0349
13	H2    -2.4376    -1.5363    -0.6880	H	1	noname	0.0349
14	H3     1.6170     0.3534     1.1518	H	1	noname	0.0277
15	H4     0.8551     1.2786    -0.3069	H	1	noname	0.0277
16	H5     2.4248    -1.8525     0.1225	H	1	noname	0.0241
17	H6     1.5983    -2.4218    -1.3475	H	1	noname	0.0241
18	H7     2.4315    -0.8489    -1.3475	H	1	noname	0.0241
19	H8    -2.0809    -0.7786     1.6012	H	1	noname	0.0313
20	H9    -1.0106    -3.6304     0.9945	H	1	noname	0.0236
21	H10    -1.5895    -2.7224    -0.4228	H	1	noname	0.0236
22	H11     0.0463    -3.4241    -0.4228	H	1	noname	0.0236
23	H12     0.7790    -2.9178     2.2660	H	1	noname	0.0236
24	H13     1.6332    -1.3886     1.9493	H	1	noname	0.0236
25	H14     0.1350    -1.3886     2.9104	H	1	noname	0.0236
26	H15    -0.2790     0.6507     2.3124	H	1	noname	0.0270
27	H16    -1.0617     1.5226     0.8320	H	1	noname	0.0270
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	3	7	1
7	8	4	1
8	5	9	1
9	5	10	1
10	5	8	1
11	6	11	1
12	8	11	1
13	4	12	1
14	4	13	1
15	6	14	1
16	6	15	1
17	7	16	1
18	7	17	1
19	7	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	9	22	1
24	10	23	1
25	10	24	1
26	10	25	1
27	11	26	1
28	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1