@<TRIPOS>MOLECULE
101318326
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9724    -1.5468    -2.8272	O.3	1	noname	-0.3796
2	O2    -1.8725    -3.9405    -1.9465	O.3	1	noname	-0.2608
3	O3    -0.8524    -0.7505     0.1937	O.3	1	noname	-0.2592
4	O4    -0.6425    -3.0065    -4.3985	O.3	1	noname	-0.2113
5	O5    -2.6324    -3.7344    -5.1619	O.2	1	noname	-0.2461
6	N1    -0.0496    -2.4281    -1.0681	N.2	1	noname	-0.2224
7	C1     1.9001    -2.3845    -2.4212	C.3	1	noname	0.0740
8	C2     0.9887    -1.6170    -1.4613	C.3	1	noname	0.0678
9	C3    -1.9608    -2.7887     0.1263	C.2	1	noname	0.0098
10	C4    -2.4332    -3.7770    -0.7294	C.2	1	noname	0.0319
11	C5    -0.9338    -1.9865    -0.2626	C.2	1	noname	0.0124
12	C6    -2.5381    -2.6203     1.3795	C.2	1	noname	-0.0178
13	C7    -3.4829    -4.5969    -0.3319	C.2	1	noname	-0.0192
14	C8    -3.5878    -3.4403     1.7770	C.2	1	noname	-0.0610
15	C9    -4.0602    -4.4286     0.9213	C.2	1	noname	-0.0416
16	C10     2.4585    -3.6215    -1.7149	C.3	1	noname	-0.0369
17	C11    -2.5516    -3.1290    -2.8934	C.3	1	noname	0.1390
18	C12     2.4541    -0.3988    -3.4827	C.3	1	noname	0.0360
19	C13    -1.9453    -3.3058    -4.2097	C.2	1	noname	0.1487
20	H1     1.3284    -2.6929    -3.2965	H	1	noname	0.0619
21	H2     0.5909    -0.7358    -1.9644	H	1	noname	0.0542
22	H3     1.5604    -1.3086    -0.5860	H	1	noname	0.0542
23	H4    -2.1915    -1.8951     2.0074	H	1	noname	0.0631
24	H5    -3.8295    -5.3222    -0.9598	H	1	noname	0.0650
25	H6    -4.0114    -3.3167     2.6966	H	1	noname	0.0622
26	H7    -4.8304    -5.0303     1.2130	H	1	noname	0.0623
27	H8     1.6353    -4.2645    -1.4032	H	1	noname	0.0257
28	H9     3.0301    -3.3131    -0.8396	H	1	noname	0.0257
29	H10    -3.6013    -3.4199    -2.9349	H	1	noname	0.0682
30	H11    -2.4760    -2.0830    -2.5961	H	1	noname	0.0682
31	H12     3.2772     0.2442    -3.7945	H	1	noname	0.0529
32	H13     1.8049     0.1480    -2.7989	H	1	noname	0.0529
33	H14     1.8824    -0.7072    -4.3580	H	1	noname	0.0529
34	H15    -1.7532    -0.4085     0.3729	H	1	noname	0.2199
35	H16    -0.3329    -2.6969    -5.2752	H	1	noname	0.2213
36	H17     3.1077    -4.1683    -2.3987	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	7	1
2	1	18	1
3	2	10	1
4	2	17	1
5	3	11	1
6	3	34	1
7	4	19	1
8	4	35	1
9	5	19	2
10	6	8	1
11	6	11	2
12	7	8	1
13	7	16	1
14	7	20	1
15	8	21	1
16	8	22	1
17	9	10	1
18	9	11	1
19	9	12	2
20	10	13	2
21	12	14	1
22	12	23	1
23	13	15	1
24	13	24	1
25	14	15	2
26	14	25	1
27	15	26	1
28	16	27	1
29	16	28	1
30	16	36	1
31	17	19	1
32	17	29	1
33	17	30	1
34	18	31	1
35	18	32	1
36	18	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1