REMARK Name = BDB023474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.587 -0.191 -0.133 0.00 0.00 +0.192 C ATOM 2 N LIG 1 3.441 1.091 -0.839 0.00 0.00 -0.256 N ATOM 3 C LIG 1 2.141 1.288 -1.284 0.00 0.00 +0.250 C ATOM 4 O LIG 1 1.651 2.293 -1.761 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 1.381 0.074 -1.003 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.068 -0.224 -1.331 0.00 0.00 +0.020 A ATOM 7 C LIG 1 -0.454 -1.469 -0.938 0.00 0.00 -0.014 A ATOM 8 C LIG 1 0.390 -2.354 -0.218 0.00 0.00 +0.007 A ATOM 9 C LIG 1 1.712 -2.022 0.105 0.00 0.00 +0.009 A ATOM 10 C LIG 1 2.203 -0.791 -0.298 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.937 -0.081 1.357 0.00 0.00 +0.007 A ATOM 12 C LIG 1 4.832 -0.986 1.963 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.127 -0.908 3.325 0.00 0.00 +0.020 A ATOM 14 C LIG 1 4.527 0.071 4.107 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 4.891 0.166 5.783 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 3.626 0.967 3.540 0.00 0.00 +0.020 A ATOM 17 C LIG 1 3.326 0.885 2.179 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 5.657 -0.659 -1.327 0.00 0.00 +0.197 C ATOM 19 O LIG 1 4.409 -1.119 -0.849 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 -1.872 -1.884 -1.333 0.00 0.00 +0.101 C ATOM 21 C LIG 1 -1.909 -2.114 -2.853 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 -2.202 -3.148 -0.726 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 -2.703 -2.897 0.080 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 -3.001 -0.878 -0.926 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 -3.366 -0.986 0.514 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 -2.612 -0.028 1.320 0.00 0.00 +0.105 C BRANCH 25 27 ATOM 27 C LIG 1 -4.834 -0.919 0.718 0.00 0.00 +0.059 C ATOM 28 C LIG 1 -5.263 -1.189 2.166 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -6.783 -1.393 2.242 0.00 0.00 +0.085 C ATOM 30 N LIG 1 -7.529 -0.683 1.192 0.00 0.00 -0.305 NA ATOM 31 C LIG 1 -8.930 -0.522 1.559 0.00 0.00 +0.104 C ATOM 32 C LIG 1 -6.907 0.588 0.847 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -5.528 0.365 0.209 0.00 0.00 +0.034 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 34 ATOM 34 C LIG 1 4.348 2.224 -0.663 0.00 0.00 +0.166 C BRANCH 34 35 ATOM 35 C LIG 1 5.103 2.639 -1.913 0.00 0.00 +0.059 A ATOM 36 N LIG 1 6.440 2.382 -1.936 0.00 0.00 -0.257 NA ATOM 37 C LIG 1 7.128 2.742 -3.048 0.00 0.00 +0.131 A ATOM 38 C LIG 1 6.551 3.353 -4.147 0.00 0.00 +0.059 A ATOM 39 CL LIG 1 7.492 3.771 -5.516 0.00 0.00 -0.082 Cl ATOM 40 C LIG 1 5.191 3.623 -4.109 0.00 0.00 +0.023 A ATOM 41 C LIG 1 4.456 3.266 -2.979 0.00 0.00 +0.026 A ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9