@MOLECULE 4-chloro-3-oxo-2-butanyl isobutyl carbonate 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.0720 -1.4736 -0.0046 Cl 1 UNL1111111111 -0.0969 2 O 1.9765 0.3855 -0.2104 O.3 1 UNL1111111111 -0.3536 3 O 0.0489 1.4345 -0.0905 O.3 1 UNL1111111111 -0.3428 4 O -2.1771 0.2073 -1.4206 O.2 1 UNL1111111111 -0.3591 5 O 0.2460 -0.5998 0.9177 O.2 1 UNL1111111111 -0.5869 6 C 4.1751 -0.3720 -0.4077 C.3 1 UNL1111111111 -0.0825 7 C 2.7790 -0.7857 0.0751 C.3 1 UNL1111111111 -0.0365 8 C 4.7964 0.6367 0.5598 C.3 1 UNL1111111111 -0.4509 9 C 5.0456 -1.6250 -0.5273 C.3 1 UNL1111111111 -0.4530 10 C -1.3031 1.4759 0.4020 C.3 1 UNL1111111111 0.0391 11 C -1.8237 2.8090 -0.1017 C.3 1 UNL1111111111 -0.4601 12 C -2.0970 0.3210 -0.2298 C.2 1 UNL1111111111 0.4028 13 C 0.7209 0.3063 0.2702 C.2 1 UNL1111111111 0.7098 14 C -2.7213 -0.6290 0.7501 C.3 1 UNL1111111111 -0.3144 15 H 4.0757 0.1082 -1.4154 H 1 UNL1111111111 0.1550 16 H 2.3568 -1.6316 -0.4942 H 1 UNL1111111111 0.1425 17 H 2.7395 -1.0065 1.1547 H 1 UNL1111111111 0.1447 18 H 5.7691 0.9885 0.1983 H 1 UNL1111111111 0.1467 19 H 4.9513 0.2078 1.5554 H 1 UNL1111111111 0.1446 20 H 4.1524 1.5184 0.6753 H 1 UNL1111111111 0.1552 21 H 6.0602 -1.3667 -0.8544 H 1 UNL1111111111 0.1516 22 H 4.6404 -2.3336 -1.2588 H 1 UNL1111111111 0.1481 23 H 5.1393 -2.1492 0.4305 H 1 UNL1111111111 0.1479 24 H -1.2688 1.4168 1.5116 H 1 UNL1111111111 0.1498 25 H -1.1973 3.6416 0.2489 H 1 UNL1111111111 0.1693 26 H -1.8139 2.8474 -1.2046 H 1 UNL1111111111 0.1837 27 H -2.8525 2.9943 0.2289 H 1 UNL1111111111 0.1628 28 H -3.1098 -0.1367 1.6563 H 1 UNL1111111111 0.1719 29 H -1.9745 -1.3947 1.0637 H 1 UNL1111111111 0.2112 @BOND 1 1 14 1 2 2 7 1 3 2 13 1 4 3 10 1 5 3 13 1 6 4 12 2 7 5 13 2 8 6 7 1 9 6 8 1 10 6 9 1 11 6 15 1 12 7 16 1 13 7 17 1 14 8 18 1 15 8 19 1 16 8 20 1 17 9 21 1 18 9 22 1 19 9 23 1 20 10 11 1 21 10 12 1 22 10 24 1 23 11 25 1 24 11 26 1 25 11 27 1 26 12 14 1 27 14 28 1 28 14 29 1