@<TRIPOS>MOLECULE
73050808
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4746    -1.0330    -3.2891	O.3	1	noname	-0.3949
2	O2     0.1800     4.0027     3.8164	O.3	1	noname	-0.3949
3	O3     5.2082     0.1955     0.3087	O.3	1	noname	-0.3949
4	N1    -0.3752     1.6097    -1.8074	N.3	1	noname	-0.2751
5	N2     1.9309     1.4231    -0.8483	N.3	1	noname	-0.2751
6	N3    -0.0126     2.2225     0.5946	N.3	1	noname	-0.2751
7	C1     1.4394     1.9052     0.4746	C.3	1	noname	0.0533
8	C2     0.8550     0.7967    -1.6494	C.3	1	noname	0.0533
9	C3    -0.6151     2.5791    -0.7100	C.3	1	noname	0.0533
10	C4    -0.1938     3.3283     1.5336	C.3	1	noname	0.0240
11	C5     3.0113     0.4593    -0.6450	C.3	1	noname	0.0240
12	C6    -1.5312     0.7241    -1.9369	C.3	1	noname	0.0240
13	C7     0.3560     2.9286     2.9044	C.3	1	noname	0.0560
14	C8     4.1589     1.1316     0.1112	C.3	1	noname	0.0560
15	C9    -1.3517    -0.1729    -3.1633	C.3	1	noname	0.0560
16	H1     0.5981    -0.1712    -1.2190	H	1	noname	0.0602
17	H2     1.2301     0.4832    -2.6237	H	1	noname	0.0602
18	H3     1.7206     1.1913     1.2488	H	1	noname	0.0602
19	H4     2.0291     2.7862     0.7279	H	1	noname	0.0602
20	H5    -1.6876     2.7293    -0.5859	H	1	noname	0.0602
21	H6    -0.1182     3.5095    -0.9846	H	1	noname	0.0602
22	H7     2.6400    -0.3858    -0.0653	H	1	noname	0.0455
23	H8     3.3705     0.1069    -1.6119	H	1	noname	0.0455
24	H9    -1.2552     3.5602     1.6214	H	1	noname	0.0455
25	H10     0.3409     4.2055     1.1694	H	1	noname	0.0455
26	H11    -2.4354     1.3217    -2.0530	H	1	noname	0.0455
27	H12    -1.6168     0.1054    -1.0436	H	1	noname	0.0455
28	H13    -0.1787     2.0514     3.2686	H	1	noname	0.0576
29	H14     1.4174     2.6967     2.8166	H	1	noname	0.0576
30	H15     3.7997     1.4840     1.0781	H	1	noname	0.0576
31	H16     4.5302     1.9767    -0.4684	H	1	noname	0.0576
32	H17    -1.2661     0.4459    -4.0566	H	1	noname	0.0576
33	H18    -0.4475    -0.7704    -3.0472	H	1	noname	0.0576
34	H19     0.5321     3.7467     4.6944	H	1	noname	0.2100
35	H20     5.9433     0.6261     0.7931	H	1	noname	0.2100
36	H21    -2.3596    -1.6075    -4.0746	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	15	1
2	1	36	1
3	2	13	1
4	2	34	1
5	3	14	1
6	3	35	1
7	4	8	1
8	4	9	1
9	4	12	1
10	5	7	1
11	5	8	1
12	5	11	1
13	6	7	1
14	6	9	1
15	6	10	1
16	7	18	1
17	7	19	1
18	8	16	1
19	8	17	1
20	9	20	1
21	9	21	1
22	10	13	1
23	10	24	1
24	10	25	1
25	11	14	1
26	11	22	1
27	11	23	1
28	12	15	1
29	12	26	1
30	12	27	1
31	13	28	1
32	13	29	1
33	14	30	1
34	14	31	1
35	15	32	1
36	15	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1