@MOLECULE 1-(4-chlorophenyl)-2-cyclobutylethanone 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 CL1 -4.7638 0.4496 0.2167 Cl 1 UNCH11111 -0.0806 2 O1 1.4244 -1.8000 -0.3052 O.2 1 UNCH11111 -0.4385 3 C1 -0.3837 -0.3217 -0.1842 C.ar 1 UNCH11111 -0.1756 4 C2 -0.8657 0.9875 -0.2197 C.ar 1 UNCH11111 -0.0849 5 C3 -2.2316 1.2350 -0.0948 C.ar 1 UNCH11111 -0.1974 6 C4 -3.0867 0.1515 0.0638 C.ar 1 UNCH11111 0.0618 7 C5 -2.6377 -1.1620 0.1031 C.ar 1 UNCH11111 -0.2005 8 C6 -1.2696 -1.3924 -0.0231 C.ar 1 UNCH11111 -0.0536 9 C7 1.0631 -0.6474 -0.3182 C.2 1 UNCH11111 0.4704 10 C8 2.0433 0.4860 -0.4794 C.3 1 UNCH11111 -0.3914 11 C9 3.4766 -0.0223 -0.4432 C.3 1 UNCH11111 -0.0767 12 C10 4.0055 -0.3993 0.9725 C.3 1 UNCH11111 -0.2787 13 C11 5.0919 0.7007 0.8624 C.3 1 UNCH11111 -0.2767 14 C12 4.5577 1.0947 -0.5400 C.3 1 UNCH11111 -0.2964 15 H2 -0.1845 1.8299 -0.3451 H 1 UNCH11111 0.1578 16 H3 -2.6121 2.2555 -0.1226 H 1 UNCH11111 0.1744 17 H5 -3.3293 -1.9951 0.2284 H 1 UNCH11111 0.1780 18 H6 -0.8788 -2.4160 0.0022 H 1 UNCH11111 0.1823 19 H81 1.8540 1.0048 -1.4432 H 1 UNCH11111 0.1708 20 H82 1.8878 1.2462 0.3139 H 1 UNCH11111 0.1701 21 H9 3.6211 -0.8336 -1.1789 H 1 UNCH11111 0.1514 22 H101 3.2884 -0.2559 1.7826 H 1 UNCH11111 0.1405 23 H102 4.3895 -1.4197 1.0452 H 1 UNCH11111 0.1452 24 H111 5.0174 1.4891 1.6138 H 1 UNCH11111 0.1356 25 H112 6.1175 0.3253 0.8664 H 1 UNCH11111 0.1377 26 H121 4.1661 2.1108 -0.6045 H 1 UNCH11111 0.1365 27 H122 5.2733 0.9555 -1.3527 H 1 UNCH11111 0.1387 @BOND 1 1 6 1 2 2 9 2 3 3 4 ar 4 3 8 ar 5 3 9 1 6 4 5 ar 7 4 15 1 8 5 6 ar 9 5 16 1 10 6 7 ar 11 7 8 ar 12 7 17 1 13 8 18 1 14 9 10 1 15 10 11 1 16 10 19 1 17 10 20 1 18 11 12 1 19 11 14 1 20 11 21 1 21 12 13 1 22 12 22 1 23 12 23 1 24 13 14 1 25 13 24 1 26 13 25 1 27 14 26 1 28 14 27 1