REMARK Name = BDB007180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.007 -0.616 -0.713 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -3.202 0.224 -1.814 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -2.134 1.018 -2.251 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -0.874 0.957 -1.623 0.00 0.00 +0.046 A ATOM 5 N LIG 1 0.234 1.734 -2.052 0.00 0.00 -0.258 N ATOM 6 C LIG 1 1.554 1.458 -1.669 0.00 0.00 +0.314 C ATOM 7 N LIG 1 1.738 0.457 -0.708 0.00 0.00 -0.244 N ATOM 8 C LIG 1 0.628 0.105 0.182 0.00 0.00 +0.145 C ATOM 9 O LIG 1 2.486 2.091 -2.174 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 0.031 2.764 -3.064 0.00 0.00 +0.140 C ATOM 11 C LIG 1 -0.694 0.099 -0.543 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.760 -0.700 -0.100 0.00 0.00 +0.057 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.559 0.949 1.464 0.00 0.00 -0.022 A ATOM 14 C LIG 1 0.814 2.331 1.473 0.00 0.00 +0.007 A ATOM 15 C LIG 1 0.719 3.070 2.656 0.00 0.00 +0.020 A ATOM 16 C LIG 1 0.361 2.439 3.843 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 0.242 3.350 5.297 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 0.097 1.073 3.859 0.00 0.00 +0.020 A ATOM 19 C LIG 1 0.193 0.334 2.677 0.00 0.00 +0.007 A ENDBRANCH 8 13 BRANCH 7 20 ATOM 20 C LIG 1 3.043 -0.124 -0.468 0.00 0.00 +0.039 A ATOM 21 C LIG 1 4.027 -0.140 -1.459 0.00 0.00 +0.025 A ATOM 22 C LIG 1 5.288 -0.730 -1.247 0.00 0.00 +0.025 A ATOM 23 C LIG 1 5.634 -1.354 -0.042 0.00 0.00 +0.029 A ATOM 24 C LIG 1 4.643 -1.328 0.948 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.379 -0.740 0.742 0.00 0.00 +0.025 A BRANCH 23 26 ATOM 26 N LIG 1 6.891 -1.925 0.176 0.00 0.00 -0.336 N ATOM 27 C LIG 1 7.804 -2.094 -0.952 0.00 0.00 +0.129 C ATOM 28 C LIG 1 7.053 -2.880 1.271 0.00 0.00 +0.129 C ENDBRANCH 23 26 ENDBRANCH 7 20 BRANCH 2 29 ATOM 29 O LIG 1 -4.446 0.200 -2.389 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -4.628 0.917 -3.602 0.00 0.00 +0.277 C ENDBRANCH 2 29 BRANCH 1 31 ATOM 31 O LIG 1 -3.981 -1.449 -0.224 0.00 0.00 -0.485 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.063 -0.735 0.406 0.00 0.00 +0.170 C ATOM 33 C LIG 1 -4.886 -0.869 1.918 0.00 0.00 +0.052 C BRANCH 32 35 ATOM 34 C LIG 1 -7.620 -0.668 0.406 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -6.368 -1.378 -0.084 0.00 0.00 +0.041 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 7