@<TRIPOS>MOLECULE
DB03114
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.5560    -1.2521    -0.6784	P	1	noname	0.0342
2	O1    -3.0029    -1.3930    -0.5399	O.2	1	noname	-0.1920
3	O2    -0.8449    -1.2295     0.7656	O.3	1	noname	-0.1091
4	O3    -1.2287     0.1543    -1.3295	O.3	1	noname	-0.1512
5	O4    -0.9212    -2.4102    -1.5592	O.3	1	noname	-0.1615
6	C1     0.5183    -1.0833     0.6888	C.2	1	noname	0.0439
7	C2    -1.7735     0.2411    -2.6376	C.3	1	noname	0.0653
8	C3     1.3367    -2.2641     0.5908	C.2	1	noname	0.0249
9	C4     1.1140     0.2289     0.7379	C.2	1	noname	-0.0016
10	C5    -1.2892     1.5381    -3.2428	C.3	1	noname	-0.0168
11	C6     2.7500    -2.1272     0.4662	C.2	1	noname	-0.0105
12	C7     0.7664    -3.4984     0.6169	C.2	1	noname	0.1025
13	C8     2.5304     0.3564     0.6143	C.2	1	noname	-0.0316
14	C9    -2.0695     1.7949    -4.5822	C.3	1	noname	-0.0482
15	C10     0.2805     1.5174    -3.2822	C.3	1	noname	-0.0482
16	C11     3.3201    -0.8213     0.4694	C.2	1	noname	-0.0480
17	O5     1.4650    -4.4951     0.5335	O.2	1	noname	-0.3003
18	C12    -1.1988     2.4489    -5.6984	C.3	1	noname	-0.0529
19	C13     0.8543     1.0806    -4.6395	C.3	1	noname	-0.0529
20	C14     0.2399     1.8473    -5.8506	C.3	1	noname	-0.0533
21	H1    -0.5519    -3.0840    -0.9837	H	1	noname	0.2283
22	H2    -1.3383    -0.5828    -3.2033	H	1	noname	0.0579
23	H3    -2.8544     0.3055    -2.5129	H	1	noname	0.0579
24	H4     0.4977     1.1186     0.8676	H	1	noname	0.0650
25	H5    -1.5358     2.3961    -2.6173	H	1	noname	0.0326
26	H6     3.3852    -3.0077     0.3699	H	1	noname	0.0631
27	H7    -0.3012    -3.6984     0.7091	H	1	noname	0.1099
28	H8     3.0021     1.3389     0.6304	H	1	noname	0.0623
29	H9    -2.3470     0.8116    -4.9619	H	1	noname	0.0270
30	H10    -2.8428     2.5254    -4.3445	H	1	noname	0.0270
31	H11     0.6037     2.5497    -3.1479	H	1	noname	0.0270
32	H12     0.5944     0.7514    -2.5732	H	1	noname	0.0270
33	H13     4.3995    -0.7197     0.3568	H	1	noname	0.0622
34	H14    -1.7114     2.2282    -6.6347	H	1	noname	0.0267
35	H15    -1.0545     3.4834    -5.3869	H	1	noname	0.0267
36	H16     1.9100     1.3509    -4.6128	H	1	noname	0.0267
37	H17     0.5617     0.0376    -4.7602	H	1	noname	0.0267
38	H18     0.1493     1.0974    -6.6364	H	1	noname	0.0266
39	H19     0.8915     2.7094    -5.9925	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	4	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	9	13	2
13	10	14	1
14	10	15	1
15	11	16	2
16	12	17	2
17	13	16	1
18	14	18	1
19	15	19	1
20	18	20	1
21	19	20	1
22	5	21	1
23	7	22	1
24	7	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	12	27	1
29	13	28	1
30	14	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	16	33	1
35	18	34	1
36	18	35	1
37	19	36	1
38	19	37	1
39	20	38	1
40	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1