REMARK Name = BDB040577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.761 -1.381 0.292 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.804 -1.516 -1.097 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.931 -1.105 -1.825 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -1.866 -1.378 -3.534 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.050 -0.527 -1.189 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.992 -0.405 0.217 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -4.296 0.232 1.163 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -1.863 -0.818 0.939 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.260 -0.072 -2.003 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.671 1.374 -1.732 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -3.863 2.275 -1.519 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -6.013 1.655 -1.824 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -6.271 2.618 -1.658 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -7.008 0.850 -2.317 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -8.139 1.287 -2.512 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -6.615 -0.559 -2.687 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -5.439 -1.040 -1.853 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.459 -1.786 1.071 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.437 -0.751 2.093 0.00 0.00 +0.229 C ATOM 20 N LIG 1 1.346 -0.661 1.244 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.389 0.024 0.496 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.588 -1.726 2.834 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.417 0.466 2.018 0.00 0.00 +0.124 C ATOM 24 C LIG 1 4.272 0.764 3.289 0.00 0.00 +0.026 C ATOM 25 C LIG 1 4.060 2.265 3.030 0.00 0.00 +0.003 C ATOM 26 C LIG 1 2.810 1.891 2.216 0.00 0.00 +0.026 C BRANCH 23 30 ATOM 27 C LIG 1 7.192 -0.330 -1.132 0.00 0.00 +0.111 C ATOM 28 C LIG 1 5.828 0.001 -0.691 0.00 0.00 +0.214 A ATOM 29 O LIG 1 5.587 -0.009 0.655 0.00 0.00 -0.424 OA ATOM 30 C LIG 1 4.259 0.332 0.703 0.00 0.00 +0.232 A ATOM 31 N LIG 1 3.748 0.533 -0.497 0.00 0.00 -0.111 NA ATOM 32 N LIG 1 4.766 0.316 -1.399 0.00 0.00 -0.113 NA ENDBRANCH 23 30 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5