@<TRIPOS>MOLECULE
71587634
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4964    -3.8199    -1.1717	O.2	1	noname	-0.2939
2	O2     0.0002    -1.8950     2.8029	O.3	1	noname	-0.2126
3	O3     1.0173    -0.0171     2.1539	O.2	1	noname	-0.2478
4	O4     0.5534     3.2184    -2.9659	O.3	1	noname	-0.2861
5	N1    -0.7941    -2.1367     0.0777	N.3	1	noname	-0.0669
6	C1    -3.2132    -2.3116    -0.9579	C.3	1	noname	0.0356
7	C2    -1.8119    -2.7290    -0.6432	C.2	1	noname	0.0446
8	C3    -3.9386    -1.1153    -0.3186	C.3	1	noname	-0.0518
9	C4    -3.4051    -2.2727    -2.4754	C.3	1	noname	-0.0518
10	C5    -4.0438    -3.5477    -0.6071	C.3	1	noname	-0.0518
11	C6    -0.8171    -0.8689     0.7561	C.3	1	noname	0.1255
12	C7    -0.4839     0.2206    -0.2090	C.2	1	noname	-0.0553
13	C8     0.1234    -0.8801     1.9175	C.2	1	noname	0.1464
14	C9     0.7874     0.2271    -0.8466	C.2	1	noname	-0.0404
15	C10    -1.4064     1.2514    -0.5284	C.2	1	noname	-0.0404
16	C11     1.1439     1.2447    -1.7539	C.2	1	noname	-0.0292
17	C12    -1.0834     2.2149    -1.5173	C.2	1	noname	-0.0292
18	C13     0.2029     2.2290    -2.1018	C.2	1	noname	-0.0013
19	H1    -5.0968    -3.3455    -0.8032	H	1	noname	0.0241
20	H2    -3.9103    -3.7877     0.4477	H	1	noname	0.0241
21	H3    -4.4264    -1.9685    -2.7048	H	1	noname	0.0241
22	H4    -3.2191    -3.2631    -2.8906	H	1	noname	0.0241
23	H5    -2.7066    -1.5587    -2.9117	H	1	noname	0.0241
24	H6    -4.9457    -1.0397    -0.7285	H	1	noname	0.0241
25	H7    -3.9953    -1.2592     0.7604	H	1	noname	0.0241
26	H8    -3.3887    -0.1993    -0.5346	H	1	noname	0.0241
27	H9    -3.7161    -4.3904    -1.2158	H	1	noname	0.0241
28	H10    -1.7870    -0.7186     1.2045	H	1	noname	0.0630
29	H11     0.0516    -2.6266     0.0958	H	1	noname	0.1322
30	H12     1.4750    -0.4997    -0.6252	H	1	noname	0.0627
31	H13    -2.3060     1.3152    -0.0421	H	1	noname	0.0627
32	H14     2.1121     1.2675    -2.1093	H	1	noname	0.0650
33	H15    -1.7659     2.9141    -1.8163	H	1	noname	0.0650
34	H16     0.5879    -1.9575     3.5803	H	1	noname	0.2213
35	H17    -0.2095     3.8181    -3.1027	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	7	2
2	2	13	1
3	2	34	1
4	3	13	2
5	4	18	1
6	4	35	1
7	5	7	1
8	11	5	1
9	5	29	1
10	6	7	1
11	6	8	1
12	6	9	1
13	6	10	1
14	8	24	1
15	8	25	1
16	8	26	1
17	9	21	1
18	9	22	1
19	9	23	1
20	10	19	1
21	10	20	1
22	10	27	1
23	11	12	1
24	11	13	1
25	11	28	1
26	12	14	2
27	12	15	1
28	14	16	1
29	14	30	1
30	15	17	2
31	15	31	1
32	16	18	2
33	16	32	1
34	17	18	1
35	17	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1