@<TRIPOS>MOLECULE
91669567
41 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.4147    -0.2575    -0.1543	N.3	1	noname	0.0000
2	C1     0.9180     0.1659     0.2726	C.3	1	noname	0.0000
3	C2    -1.3488     0.8584    -0.0141	C.3	1	noname	0.0000
4	C3    -0.3670    -0.6803    -1.5530	C.3	1	noname	0.0000
5	C4    -0.8610    -1.3740     0.6774	C.3	1	noname	0.0000
6	C5     1.8955    -1.0019     0.1258	C.3	1	noname	0.0000
7	C6    -0.9109    -0.9315     2.1411	C.3	1	noname	0.0000
8	C7    -0.8817     2.0269    -0.8845	C.3	1	noname	0.0000
9	C8    -1.7616    -1.1234    -1.9997	C.3	1	noname	0.0000
10	C9    -1.7117    -1.5659    -3.4635	C.3	1	noname	0.0000
11	C10    -1.8592     3.1947    -0.7378	C.3	1	noname	0.0000
12	C11    -1.3780    -2.0999     3.0115	C.3	1	noname	0.0000
13	C12     3.2901    -0.5589     0.5726	C.3	1	noname	0.0000
14	H1     0.8824     0.4811     1.3154	H	1	noname	0.0000
15	H2     1.2507     0.9983    -0.3475	H	1	noname	0.0000
16	H3    -2.3423     0.5428    -0.3324	H	1	noname	0.0000
17	H4    -1.3843     1.1737     1.0287	H	1	noname	0.0000
18	H5    -0.0343     0.1521    -2.1731	H	1	noname	0.0000
19	H6     0.3294    -1.5123    -1.6575	H	1	noname	0.0000
20	H7    -1.8546    -1.6896     0.3591	H	1	noname	0.0000
21	H8    -0.1646    -2.2060     0.5729	H	1	noname	0.0000
22	H9    -2.4580    -0.2914    -1.8952	H	1	noname	0.0000
23	H10    -2.0944    -1.9558    -1.3797	H	1	noname	0.0000
24	H11    -0.8461     1.7116    -1.9273	H	1	noname	0.0000
25	H12     0.1119     2.3425    -0.5662	H	1	noname	0.0000
26	H13    -1.6073    -0.0995     2.2457	H	1	noname	0.0000
27	H14     0.0826    -0.6158     2.4594	H	1	noname	0.0000
28	H15     1.5627    -1.8343     0.7459	H	1	noname	0.0000
29	H16     1.9310    -1.3172    -0.9170	H	1	noname	0.0000
30	H17     3.9865    -1.3908     0.4680	H	1	noname	0.0000
31	H18     3.2545    -0.2436     1.6154	H	1	noname	0.0000
32	H19     3.6228     0.2736    -0.0475	H	1	noname	0.0000
33	H20    -1.4136    -1.7847     4.0543	H	1	noname	0.0000
34	H21    -2.3716    -2.4156     2.6933	H	1	noname	0.0000
35	H22    -0.6816    -2.9319     2.9070	H	1	noname	0.0000
36	H23    -2.7053    -1.8815    -3.7817	H	1	noname	0.0000
37	H24    -1.3790    -0.7335    -4.0835	H	1	noname	0.0000
38	H25    -1.0153    -2.3979    -3.5680	H	1	noname	0.0000
39	H26    -1.5265     4.0271    -1.3578	H	1	noname	0.0000
40	H27    -2.8528     2.8791    -1.0560	H	1	noname	0.0000
41	H28    -1.8948     3.5100     0.3051	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	2	6	1
6	2	14	1
7	2	15	1
8	3	8	1
9	3	16	1
10	3	17	1
11	4	9	1
12	4	18	1
13	4	19	1
14	5	7	1
15	5	20	1
16	5	21	1
17	6	13	1
18	6	28	1
19	6	29	1
20	7	12	1
21	7	26	1
22	7	27	1
23	8	11	1
24	8	24	1
25	8	25	1
26	9	10	1
27	9	22	1
28	9	23	1
29	10	36	1
30	10	37	1
31	10	38	1
32	11	39	1
33	11	40	1
34	11	41	1
35	12	33	1
36	12	34	1
37	12	35	1
38	13	30	1
39	13	31	1
40	13	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1