@<TRIPOS>MOLECULE
50387588
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2686     1.6269     0.1225	O.2	1	noname	-0.2725
2	C1     0.9144     1.2649    -0.0563	C.2	1	noname	0.1108
3	N1     1.1430     0.0808    -0.7458	N.3	1	noname	-0.0987
4	C2     1.9609     2.0916     0.4598	C.2	1	noname	0.0593
5	C3     2.4640    -0.3622    -0.8897	C.2	1	noname	0.0543
6	C4     0.0622    -0.6693    -1.4008	C.3	1	noname	0.0240
7	C5     1.7811     3.4467     0.9400	C.2	1	noname	0.0143
8	C6     3.2722     1.5826     0.3684	C.2	1	noname	0.0162
9	N2     2.7675    -1.5362    -1.5409	N.2	1	noname	-0.2263
10	C7     3.5513     0.3888    -0.3166	C.2	1	noname	-0.0026
11	C8    -0.4275    -0.0711    -2.7382	C.3	1	noname	-0.0365
12	C9    -1.3779    -0.5981    -0.8410	C.3	1	noname	-0.0365
13	C10     2.6687     4.2704     1.6502	C.2	1	noname	0.0291
14	C11     0.7843     4.3454     0.5611	C.2	1	noname	-0.0550
15	C12     4.0577    -1.9934    -1.6583	C.2	1	noname	0.0830
16	C13     4.8728    -0.0674    -0.4670	C.2	1	noname	0.0258
17	C14    -1.8349     0.0641    -2.1460	C.3	1	noname	-0.0503
18	N3     2.1800     5.5212     1.6899	N.2	1	noname	-0.2966
19	N4     1.0682     5.5664     1.0385	N.3	1	noname	-0.0145
20	N5     5.0711    -1.2453    -1.1295	N.2	1	noname	-0.2493
21	N6     4.3172    -3.1518    -2.2800	N.3	1	noname	-0.0801
22	C15     5.9977     0.6941     0.0682	C.3	1	noname	0.0386
23	H1     0.6202    -1.6021    -1.3202	H	1	noname	0.0477
24	H2     4.0913     2.1260     0.8395	H	1	noname	0.0639
25	H3     0.0146     0.9103    -2.9100	H	1	noname	0.0283
26	H4    -0.4120    -0.8218    -3.5284	H	1	noname	0.0283
27	H5    -1.8072    -1.5953    -0.7435	H	1	noname	0.0283
28	H6    -1.4381     0.1048    -0.0101	H	1	noname	0.0283
29	H7     3.6125     3.9776     2.1101	H	1	noname	0.0863
30	H8    -0.1027     4.1222    -0.0319	H	1	noname	0.0813
31	H9    -2.0792     1.1129    -1.9771	H	1	noname	0.0268
32	H10    -2.5361    -0.5803    -2.6763	H	1	noname	0.0268
33	H11     0.5191     6.4062     0.9232	H	1	noname	0.1747
34	H12     3.5615    -3.7796    -2.5142	H	1	noname	0.1273
35	H13     5.2686    -3.3971    -2.5142	H	1	noname	0.1273
36	H14     5.9656     0.6724     1.1575	H	1	noname	0.0296
37	H15     6.9325     0.2522    -0.2766	H	1	noname	0.0296
38	H16     5.9347     1.7262    -0.2766	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	2
9	5	10	1
10	6	11	1
11	6	12	1
12	7	13	1
13	7	14	2
14	8	10	1
15	9	15	1
16	10	16	2
17	11	17	1
18	12	17	1
19	13	18	2
20	14	19	1
21	15	20	2
22	15	21	1
23	16	22	1
24	16	20	1
25	18	19	1
26	6	23	1
27	8	24	1
28	11	25	1
29	11	26	1
30	12	27	1
31	12	28	1
32	13	29	1
33	14	30	1
34	17	31	1
35	17	32	1
36	19	33	1
37	21	34	1
38	21	35	1
39	22	36	1
40	22	37	1
41	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1