@MOLECULE 1-{5-chloro-2-[(3-methyl-3-oxetanyl)methoxy]phenyl}-3-(5-cyano-2-pyrazinyl)urea 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -5.8641 -1.2992 0.3535 Cl 1 UNL1 -0.0704 2 O 1.9900 4.4186 0.1777 O.3 1 UNL1 -0.3881 3 O -0.8381 1.6092 0.4333 O.3 1 UNL1 -0.3476 4 O -1.4480 -2.9235 -1.0404 O.2 1 UNL1 -0.5013 5 N -0.7445 -1.0061 0.0306 N.am 1 UNL1 -0.5187 6 N 0.7624 -2.7398 -0.7371 N.am 1 UNL1 -0.5504 7 N 2.0187 -1.0343 0.3282 N.ar 1 UNL1 -0.4550 8 N 4.3616 -2.4782 -0.1926 N.ar 1 UNL1 -0.2093 9 N 6.7021 -0.3772 1.1709 N.1 1 UNL1 -0.1926 10 C 0.6880 2.9506 -0.7208 C.3 1 UNL1 -0.0241 11 C 1.1300 4.4206 -0.9919 C.3 1 UNL1 -0.0724 12 C 1.6873 3.0281 0.4719 C.3 1 UNL1 -0.0492 13 C -0.7645 2.8530 -0.2773 C.3 1 UNL1 -0.0560 14 C 1.0303 1.9474 -1.7956 C.3 1 UNL1 -0.4511 15 C -2.0557 0.9961 0.3741 C.ar 1 UNL1 0.1472 16 C -2.0149 -0.4082 0.1770 C.ar 1 UNL1 0.1549 17 C -3.2559 1.6709 0.5609 C.ar 1 UNL1 -0.2060 18 C -3.2156 -1.1211 0.1761 C.ar 1 UNL1 -0.1893 19 C -4.4526 0.9542 0.5536 C.ar 1 UNL1 -0.1582 20 C -4.4007 -0.4179 0.3624 C.ar 1 UNL1 0.0132 21 C -0.5695 -2.2185 -0.5882 C.2 1 UNL1 0.7144 22 C 1.9689 -2.2281 -0.3188 C.ar 1 UNL1 0.3545 23 C 3.1876 -2.9567 -0.5742 C.ar 1 UNL1 -0.1158 24 C 3.2148 -0.5634 0.7176 C.ar 1 UNL1 0.1000 25 C 4.3973 -1.2829 0.4532 C.ar 1 UNL1 -0.0134 26 C 5.6703 -0.7879 0.8481 C.1 1 UNL1 0.1195 27 H 0.3683 5.1952 -0.8846 H 1 UNL1 0.1314 28 H 1.7342 4.5811 -1.8887 H 1 UNL1 0.1401 29 H 2.5959 2.4322 0.3699 H 1 UNL1 0.1287 30 H 1.2550 2.9453 1.4722 H 1 UNL1 0.1436 31 H -1.4583 2.8663 -1.1347 H 1 UNL1 0.1365 32 H -1.0416 3.6454 0.4426 H 1 UNL1 0.1374 33 H 0.3989 2.0673 -2.6849 H 1 UNL1 0.1529 34 H 2.0742 2.0348 -2.1243 H 1 UNL1 0.1563 35 H 0.8868 0.9192 -1.4344 H 1 UNL1 0.1611 36 H -3.2648 2.7467 0.7237 H 1 UNL1 0.1704 37 H -3.2252 -2.2072 0.0260 H 1 UNL1 0.2138 38 H -5.4005 1.4714 0.6996 H 1 UNL1 0.1747 39 H 0.0713 -0.4545 0.3341 H 1 UNL1 0.3736 40 H 0.7766 -3.6527 -1.2129 H 1 UNL1 0.3454 41 H 3.1826 -3.9236 -1.0886 H 1 UNL1 0.2008 42 H 3.2115 0.4000 1.2468 H 1 UNL1 0.1985 @BOND 1 33 14 1 2 34 14 1 3 28 11 1 4 14 35 1 5 14 10 1 6 40 6 1 7 31 13 1 8 41 23 1 9 4 21 2 10 11 27 1 11 11 10 1 12 11 2 1 13 6 21 am 14 6 22 1 15 10 13 1 16 10 12 1 17 21 5 am 18 23 22 ar 19 23 8 ar 20 22 7 ar 21 13 3 1 22 13 32 1 23 8 25 ar 24 37 18 1 25 5 16 1 26 5 39 1 27 18 16 ar 28 18 20 ar 29 16 15 ar 30 2 12 1 31 7 24 ar 32 1 20 1 33 20 19 ar 34 29 12 1 35 15 3 1 36 15 17 ar 37 25 24 ar 38 25 26 1 39 12 30 1 40 19 17 ar 41 19 38 1 42 17 36 1 43 24 42 1 44 26 9 3