REMARK Name = BDB009743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.401 -0.222 -0.653 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.770 0.376 0.036 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.156 -0.199 -0.391 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.047 -0.968 -1.707 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.996 -2.084 -1.611 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.870 -2.731 -3.010 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.365 -1.476 -1.262 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.396 -2.107 -1.512 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.657 0.347 1.561 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.159 -0.765 2.259 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.104 -0.770 3.656 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.560 0.333 4.373 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.495 0.323 6.091 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.074 1.438 3.704 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.127 1.443 2.308 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.238 0.875 -0.473 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.333 0.824 0.406 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.324 1.806 0.358 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.652 1.733 1.450 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.244 2.847 -0.563 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.166 2.906 -1.444 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.170 1.928 -1.400 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.741 0.448 -0.600 0.00 0.00 +0.096 C BRANCH 23 25 ATOM 24 C LIG 1 1.418 2.930 0.256 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.759 1.972 -0.877 0.00 0.00 +0.021 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.620 -0.021 0.590 0.00 0.00 +0.147 C BRANCH 26 27 ATOM 27 N LIG 1 4.062 0.084 0.326 0.00 0.00 -0.313 N ATOM 28 C LIG 1 4.778 1.165 0.841 0.00 0.00 +0.251 A ATOM 29 O LIG 1 4.298 2.070 1.517 0.00 0.00 -0.268 OA ATOM 30 C LIG 1 6.233 1.195 0.523 0.00 0.00 +0.070 A ATOM 31 C LIG 1 6.783 0.228 -0.221 0.00 0.00 +0.007 A ATOM 32 C LIG 1 5.977 -0.854 -0.723 0.00 0.00 +0.018 A ATOM 33 C LIG 1 4.669 -0.898 -0.443 0.00 0.00 +0.089 A ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -1.288 -3.177 -0.565 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -2.613 -3.866 -0.762 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -3.676 -3.397 -0.384 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.529 -5.042 -1.416 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -1.624 -5.310 -1.667 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9