@<TRIPOS>MOLECULE
118984378
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.2223     3.3801     0.5587	S.3	1	noname	-0.1440
2	O1    -1.9889    -1.3383    -0.5898	O.2	1	noname	-0.2899
3	O2     0.1245     2.8812    -1.7689	O.2	1	noname	-0.2899
4	N1    -2.3124     0.8528     0.3599	N.3	1	noname	-0.0574
5	N2    -2.2020     2.3311    -1.6954	N.3	1	noname	-0.0574
6	C1    -0.4037     0.4973    -1.2643	C.3	1	noname	0.1227
7	C2     0.9319     0.4307    -0.4042	C.3	1	noname	-0.0164
8	C3    -0.0204    -0.2075    -2.6301	C.3	1	noname	-0.0213
9	C4     2.0889     0.5323    -1.4708	C.3	1	noname	-0.0396
10	C5     1.4953     0.0429    -2.8151	C.3	1	noname	-0.0463
11	C6     1.1489    -0.8174     0.5197	C.3	1	noname	-0.0515
12	C7    -0.7592     2.0138    -1.5988	C.2	1	noname	0.0522
13	C8    -1.6375    -0.1429    -0.4898	C.2	1	noname	0.0522
14	C9    -0.2098    -1.7345    -2.8140	C.3	1	noname	-0.0610
15	C10     2.6821     1.9487    -1.6960	C.3	1	noname	-0.0622
16	C11     2.4850    -0.6831     1.2529	C.3	1	noname	-0.0650
17	C12    -2.9304     1.9297    -0.4666	C.3	1	noname	0.1152
18	H1     0.9774     1.2534     0.3190	H	1	noname	0.0321
19	H2    -0.5644     0.2358    -3.4793	H	1	noname	0.0316
20	H3     2.9608    -0.0862    -1.2383	H	1	noname	0.0303
21	H4     1.6470     0.8060    -3.5785	H	1	noname	0.0272
22	H5     1.9525    -0.8934    -3.1351	H	1	noname	0.0272
23	H6     0.3394    -0.8759     1.2474	H	1	noname	0.0267
24	H7     1.1572    -1.7222    -0.0880	H	1	noname	0.0267
25	H8     0.1098    -2.0223    -3.8155	H	1	noname	0.0234
26	H9    -1.2614    -1.9889    -2.6811	H	1	noname	0.0234
27	H10     0.3889    -2.2665    -2.0746	H	1	noname	0.0234
28	H11     3.4683     1.8978    -2.4492	H	1	noname	0.0233
29	H12     1.8955     2.6220    -2.0367	H	1	noname	0.0233
30	H13     3.0989     2.3210    -0.7602	H	1	noname	0.0233
31	H14    -2.3501     0.8135     1.3283	H	1	noname	0.1335
32	H15    -2.6187     2.7489    -2.4653	H	1	noname	0.1335
33	H16     2.6358    -1.5508     1.8952	H	1	noname	0.0230
34	H17     2.4767     0.2217     1.8606	H	1	noname	0.0230
35	H18     3.2945    -0.6246     0.5253	H	1	noname	0.0230
36	H19    -3.9018     1.5924    -0.8284	H	1	noname	0.0764
37	H20    -2.0405     3.8209     1.0674	H	1	noname	0.1052
@<TRIPOS>BOND
1	1	17	1
2	1	37	1
3	2	13	2
4	3	12	2
5	4	13	1
6	4	17	1
7	4	31	1
8	5	12	1
9	5	17	1
10	5	32	1
11	6	7	1
12	6	8	1
13	6	12	1
14	6	13	1
15	7	9	1
16	7	11	1
17	7	18	1
18	8	10	1
19	8	14	1
20	8	19	1
21	9	10	1
22	9	15	1
23	9	20	1
24	10	21	1
25	10	22	1
26	11	16	1
27	11	23	1
28	11	24	1
29	14	25	1
30	14	26	1
31	14	27	1
32	15	28	1
33	15	29	1
34	15	30	1
35	16	33	1
36	16	34	1
37	16	35	1
38	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1