REMARK Name = BDB040373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.813 -1.617 -1.193 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.348 -1.661 0.097 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.021 -0.559 0.646 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -2.708 -0.813 2.216 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -2.164 0.647 -0.079 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.596 0.680 -1.379 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -1.674 2.076 -2.398 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -0.936 -0.432 -1.923 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.880 1.869 0.500 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -2.134 2.477 1.674 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -1.053 3.057 1.532 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -2.699 2.389 2.911 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -2.171 2.840 3.648 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -4.035 2.290 3.181 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -4.469 2.645 4.278 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -4.943 1.744 2.111 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -4.393 1.687 0.691 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.017 -2.783 -1.729 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.298 -1.996 -1.984 0.00 0.00 +0.225 C ATOM 20 N LIG 1 1.342 -2.675 -1.243 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.434 -2.606 -0.232 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.165 -1.781 -3.188 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 4.168 -2.626 -0.383 0.00 0.00 +0.027 C ATOM 24 C LIG 1 3.502 -1.470 -1.163 0.00 0.00 +0.085 C ATOM 25 C LIG 1 4.569 -0.908 -2.132 0.00 0.00 +0.027 C BRANCH 24 26 ATOM 26 C LIG 1 2.949 -0.408 -0.206 0.00 0.00 +0.078 A ATOM 27 N LIG 1 2.375 -0.863 0.939 0.00 0.00 -0.153 NA ATOM 28 N LIG 1 1.773 0.003 1.811 0.00 0.00 -0.157 NA ATOM 29 C LIG 1 1.747 1.318 1.521 0.00 0.00 +0.135 A ATOM 30 C LIG 1 2.277 1.827 0.354 0.00 0.00 +0.023 A ATOM 31 C LIG 1 2.893 0.947 -0.527 0.00 0.00 +0.027 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5