@MOLECULE 1,1-dimethylethyl 4-(bis(2-chloroethyl)amino)benzenebutanoate 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8654 -2.9011 0.8113 Cl 1 UNL1111111111 -0.1482 2 CL -4.3482 4.0624 -0.2753 Cl 1 UNL1111111111 -0.1697 3 O 5.2580 0.3303 -0.1731 O.3 1 UNL1111111111 -0.4763 4 O 5.8126 -1.7650 0.4607 O.2 1 UNL1111111111 -0.5310 5 N -3.4030 0.2601 0.4385 N.pl3 1 UNL1111111111 -0.4417 6 C 1.6264 -1.4500 -1.6792 C.3 1 UNL1111111111 -0.2693 7 C 2.7213 -1.0165 -0.6911 C.3 1 UNL1111111111 -0.2429 8 C 6.1606 0.9873 0.7415 C.3 1 UNL1111111111 0.3696 9 C 0.2896 -1.0246 -1.1576 C.ar 1 UNL1111111111 -0.0570 10 C 4.1065 -1.4014 -1.2184 C.3 1 UNL1111111111 -0.3522 11 C -2.2056 -0.1978 -0.1506 C.ar 1 UNL1111111111 0.2158 12 C -4.3167 -0.7291 1.0223 C.3 1 UNL1111111111 -0.0981 13 C -4.0945 1.3978 -0.1953 C.3 1 UNL1111111111 -0.1053 14 C -0.2067 0.2461 -1.4514 C.ar 1 UNL1111111111 -0.1026 15 C -0.4656 -1.8772 -0.3530 C.ar 1 UNL1111111111 -0.1031 16 C -1.4376 0.6613 -0.9597 C.ar 1 UNL1111111111 -0.2681 17 C -1.6994 -1.4773 0.1464 C.ar 1 UNL1111111111 -0.2687 18 C 5.1552 -1.0119 -0.2110 C.2 1 UNL1111111111 0.6298 19 C 5.8920 2.4621 0.4179 C.3 1 UNL1111111111 -0.4835 20 C 5.7677 0.6434 2.1743 C.3 1 UNL1111111111 -0.5094 21 C 7.5946 0.5877 0.4119 C.3 1 UNL1111111111 -0.5098 22 C -4.9618 -1.6310 -0.0346 C.3 1 UNL1111111111 -0.2270 23 C -3.6867 2.6536 0.5831 C.3 1 UNL1111111111 -0.1804 24 H 1.8170 -1.0097 -2.6787 H 1 UNL1111111111 0.1471 25 H 1.6616 -2.5472 -1.8317 H 1 UNL1111111111 0.1477 26 H 2.5404 -1.4817 0.2980 H 1 UNL1111111111 0.1502 27 H 2.6684 0.0786 -0.5227 H 1 UNL1111111111 0.1562 28 H 4.3065 -0.9018 -2.1885 H 1 UNL1111111111 0.1723 29 H 4.1697 -2.4940 -1.4054 H 1 UNL1111111111 0.1750 30 H -3.7528 -1.3314 1.7775 H 1 UNL1111111111 0.1692 31 H -5.0949 -0.1877 1.6125 H 1 UNL1111111111 0.1601 32 H -3.8431 1.4919 -1.2779 H 1 UNL1111111111 0.1560 33 H -5.2003 1.2660 -0.1620 H 1 UNL1111111111 0.1516 34 H 0.3784 0.9259 -2.0716 H 1 UNL1111111111 0.1531 35 H -0.0867 -2.8698 -0.1084 H 1 UNL1111111111 0.1540 36 H -1.7859 1.6614 -1.2027 H 1 UNL1111111111 0.1610 37 H -2.2533 -2.1661 0.7787 H 1 UNL1111111111 0.1611 38 H 6.5068 3.1189 1.0405 H 1 UNL1111111111 0.1547 39 H 6.1123 2.6825 -0.6334 H 1 UNL1111111111 0.1586 40 H 4.8388 2.7179 0.5858 H 1 UNL1111111111 0.1600 41 H 6.3267 1.2466 2.8966 H 1 UNL1111111111 0.1557 42 H 5.9694 -0.4140 2.4027 H 1 UNL1111111111 0.1789 43 H 4.6989 0.8136 2.3471 H 1 UNL1111111111 0.1585 44 H 8.3156 1.1867 0.9771 H 1 UNL1111111111 0.1556 45 H 7.8099 0.7167 -0.6547 H 1 UNL1111111111 0.1571 46 H 7.7819 -0.4693 0.6546 H 1 UNL1111111111 0.1795 47 H -5.6778 -1.0966 -0.6770 H 1 UNL1111111111 0.1573 48 H -4.2159 -2.1341 -0.6740 H 1 UNL1111111111 0.1689 49 H -4.0960 2.6685 1.6052 H 1 UNL1111111111 0.1620 50 H -2.5931 2.7848 0.6371 H 1 UNL1111111111 0.1677 @BOND 1 1 22 1 2 2 23 1 3 3 8 1 4 3 18 1 5 4 18 2 6 5 11 1 7 5 12 1 8 5 13 1 9 6 7 1 10 6 9 1 11 6 24 1 12 6 25 1 13 7 10 1 14 7 26 1 15 7 27 1 16 8 19 1 17 8 20 1 18 8 21 1 19 9 14 ar 20 9 15 ar 21 10 18 1 22 10 28 1 23 10 29 1 24 11 16 ar 25 11 17 ar 26 12 22 1 27 12 30 1 28 12 31 1 29 13 23 1 30 13 32 1 31 13 33 1 32 14 16 ar 33 14 34 1 34 15 17 ar 35 15 35 1 36 16 36 1 37 17 37 1 38 19 38 1 39 19 39 1 40 19 40 1 41 20 41 1 42 20 42 1 43 20 43 1 44 21 44 1 45 21 45 1 46 21 46 1 47 22 47 1 48 22 48 1 49 23 49 1 50 23 50 1