@<TRIPOS>MOLECULE
119058013
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8964     1.2110     0.0832	O.3	1	noname	-0.3449
2	O2    -2.3962    -0.7162    -0.7731	O.2	1	noname	-0.2969
3	N1     0.8987     2.1336     0.2902	N.3	1	noname	-0.1376
4	C1    -0.1976     0.1027     0.0251	C.3	1	noname	0.0640
5	C2     1.3324    -0.0633    -0.2224	C.3	1	noname	0.0907
6	C3    -0.3893     1.6238    -0.2135	C.3	1	noname	0.0513
7	C4     1.6709    -0.5009    -1.6725	C.3	1	noname	-0.0235
8	C5    -1.1600    -0.8890    -0.7076	C.2	1	noname	0.1378
9	C6     0.8325    -1.7290    -2.1336	C.3	1	noname	-0.0438
10	C7    -0.4413    -2.1059    -1.3453	C.3	1	noname	0.0066
11	C8    -0.5507     2.1900    -1.6442	C.3	1	noname	-0.0090
12	C9     0.7853     2.4163     1.7201	C.3	1	noname	0.0130
13	C10    -0.5484     3.6491    -1.5933	C.2	1	noname	-0.0542
14	C11    -0.6812     4.3856    -2.7646	C.2	1	noname	-0.0568
15	C12    -0.4135     4.3017    -0.3735	C.2	1	noname	-0.0568
16	C13    -0.6790     5.7748    -2.7161	C.2	1	noname	-0.0604
17	C14    -0.4113     5.6909    -0.3250	C.2	1	noname	-0.0604
18	C15    -0.5440     6.4274    -1.4963	C.2	1	noname	-0.0616
19	H1    -0.3552    -0.0635     1.0927	H	1	noname	0.0427
20	H2     1.7325    -0.8237     0.4546	H	1	noname	0.0632
21	H3    -1.2133     2.0210     0.4024	H	1	noname	0.0503
22	H4     1.4987     0.3329    -2.3531	H	1	noname	0.0294
23	H5     2.7356    -0.7168    -1.7618	H	1	noname	0.0294
24	H6     0.5882    -1.6258    -3.1909	H	1	noname	0.0272
25	H7     1.4721    -2.6078    -2.0520	H	1	noname	0.0272
26	H8    -1.1329    -2.6328    -2.0027	H	1	noname	0.0346
27	H9    -0.0818    -2.7186    -0.5185	H	1	noname	0.0346
28	H10    -1.4929     1.8427    -2.0683	H	1	noname	0.0333
29	H11     0.2761     1.8469    -2.2662	H	1	noname	0.0333
30	H12    -0.0058     3.1479     1.8841	H	1	noname	0.0419
31	H13     0.5464     1.4968     2.2544	H	1	noname	0.0419
32	H14     1.7308     2.8151     2.0877	H	1	noname	0.0419
33	H15    -0.7802     3.9067    -3.6597	H	1	noname	0.0625
34	H16    -0.3160     3.7613     0.4861	H	1	noname	0.0625
35	H17    -0.7764     6.3153    -3.5757	H	1	noname	0.0622
36	H18    -0.3122     6.1698     0.5701	H	1	noname	0.0622
37	H19    -0.5424     7.4468    -1.4607	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	8	2
4	3	6	1
5	3	12	1
6	4	5	1
7	4	6	1
8	4	8	1
9	4	19	1
10	5	7	1
11	5	20	1
12	6	11	1
13	6	21	1
14	7	9	1
15	7	22	1
16	7	23	1
17	8	10	1
18	9	10	1
19	9	24	1
20	9	25	1
21	10	26	1
22	10	27	1
23	11	13	1
24	11	28	1
25	11	29	1
26	12	30	1
27	12	31	1
28	12	32	1
29	13	14	2
30	13	15	1
31	14	16	1
32	14	33	1
33	15	17	2
34	15	34	1
35	16	18	2
36	16	35	1
37	17	18	1
38	17	36	1
39	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1