REMARK Name = BDB013370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.196 0.419 0.524 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -0.012 -0.306 0.009 0.00 0.00 +0.114 C ATOM 3 C LIG 1 1.222 0.606 -0.305 0.00 0.00 +0.045 C ATOM 4 C LIG 1 0.913 2.091 -0.101 0.00 0.00 +0.026 C ATOM 5 C LIG 1 0.245 2.347 1.258 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.061 3.861 1.350 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -1.095 1.601 1.266 0.00 0.00 +0.223 C ATOM 8 O LIG 1 -2.045 2.043 1.915 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 0.421 -1.460 0.927 0.00 0.00 -0.026 A ATOM 10 C LIG 1 1.215 -2.492 0.390 0.00 0.00 +0.007 A ATOM 11 C LIG 1 1.649 -3.556 1.185 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.292 -3.604 2.529 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.823 -4.913 3.509 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.502 -2.600 3.082 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.068 -1.536 2.285 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 1.812 0.371 -1.693 0.00 0.00 -0.041 A ATOM 17 C LIG 1 1.072 0.613 -2.861 0.00 0.00 +0.024 A ATOM 18 C LIG 1 1.635 0.385 -4.117 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 0.706 0.680 -5.534 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 2.943 -0.079 -4.231 0.00 0.00 +0.020 A ATOM 21 C LIG 1 3.694 -0.313 -3.081 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.134 -0.087 -1.821 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -2.564 0.021 0.070 0.00 0.00 +0.107 C BRANCH 23 25 ATOM 24 C LIG 1 -2.756 -0.305 -2.548 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -2.913 0.589 -1.334 0.00 0.00 +0.022 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -3.144 -1.362 0.496 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 O LIG 1 -4.539 -1.415 0.113 0.00 0.00 -0.388 OA ATOM 28 H LIG 1 -4.986 -0.657 0.530 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -2.515 -2.694 0.056 0.00 0.00 +0.189 C BRANCH 29 30 ATOM 30 O LIG 1 -1.899 -2.673 -1.220 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -1.741 -3.600 -1.470 0.00 0.00 +0.210 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 1.064 1.921 2.488 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 2.403 2.596 2.583 0.00 0.00 +0.306 C ATOM 34 O LIG 1 3.392 2.317 1.926 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 2.427 3.595 3.481 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 3.342 3.945 3.439 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 11