REMARK Name = BDB023511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.619 0.709 -1.300 0.00 0.00 -0.007 A ATOM 2 C LIG 1 1.468 1.438 -0.951 0.00 0.00 +0.020 A ATOM 3 C LIG 1 0.381 0.748 -0.443 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.924 1.265 -0.038 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.671 0.204 0.456 0.00 0.00 -0.256 N ATOM 6 C LIG 1 -0.970 -1.077 0.284 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -1.272 2.420 -0.200 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.364 -0.629 -0.284 0.00 0.00 +0.019 A ATOM 9 C LIG 1 1.485 -1.372 -0.624 0.00 0.00 +0.009 A ATOM 10 C LIG 1 2.604 -0.701 -1.133 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.655 -2.059 -0.679 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -2.114 -1.631 -1.943 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -2.725 -2.523 -2.829 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.881 -3.858 -2.471 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -3.632 -4.956 -3.561 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -2.425 -4.310 -1.236 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -1.812 -3.418 -0.350 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 18 ATOM 18 C LIG 1 3.860 1.403 -1.869 0.00 0.00 +0.163 C ATOM 19 C LIG 1 4.008 1.087 -3.360 0.00 0.00 +0.056 C BRANCH 18 23 ATOM 20 C LIG 1 6.310 1.270 1.069 0.00 0.00 +0.128 C ATOM 21 N LIG 1 5.281 1.629 0.130 0.00 0.00 -0.316 N ATOM 22 H LIG 1 4.494 2.191 0.441 0.00 0.00 +0.148 HD ATOM 23 C LIG 1 5.139 0.977 -1.082 0.00 0.00 +0.249 C ATOM 24 O LIG 1 5.936 0.134 -1.488 0.00 0.00 -0.272 OA ENDBRANCH 18 23 BRANCH 18 25 ATOM 25 O LIG 1 3.717 2.828 -1.734 0.00 0.00 -0.375 OA ATOM 26 H LIG 1 4.520 3.223 -2.119 0.00 0.00 +0.211 HD ENDBRANCH 18 25 ENDBRANCH 1 18 BRANCH 6 27 ATOM 27 O LIG 1 -0.590 -1.673 1.529 0.00 0.00 -0.351 OA ATOM 28 C LIG 1 -1.533 -1.651 2.582 0.00 0.00 +0.197 C ENDBRANCH 6 27 BRANCH 5 29 ATOM 29 C LIG 1 -3.124 0.314 0.568 0.00 0.00 +0.166 C BRANCH 29 30 ATOM 30 C LIG 1 -3.614 0.990 1.835 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -4.127 0.184 2.805 0.00 0.00 -0.257 NA ATOM 32 C LIG 1 -4.576 0.777 3.940 0.00 0.00 +0.131 A ATOM 33 C LIG 1 -4.542 2.143 4.162 0.00 0.00 +0.059 A ATOM 34 CL LIG 1 -5.128 2.815 5.628 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 -4.024 2.956 3.165 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -3.557 2.376 1.986 0.00 0.00 +0.026 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7