REMARK Name = BDB007273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.941 -0.319 -2.042 0.00 0.00 +0.162 A ATOM 2 C LIG 1 6.282 0.803 -1.510 0.00 0.00 +0.162 A ATOM 3 C LIG 1 4.980 0.682 -1.017 0.00 0.00 +0.055 A ATOM 4 C LIG 1 4.338 -0.566 -0.997 0.00 0.00 -0.015 A ATOM 5 C LIG 1 2.956 -0.748 -0.382 0.00 0.00 +0.142 C ATOM 6 N LIG 1 2.157 -1.724 -1.156 0.00 0.00 -0.258 N ATOM 7 C LIG 1 2.768 -2.894 -1.636 0.00 0.00 +0.225 C ATOM 8 C LIG 1 4.282 -2.999 -1.502 0.00 0.00 +0.132 C ATOM 9 O LIG 1 2.157 -3.865 -2.088 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 4.991 -1.678 -1.530 0.00 0.00 -0.030 A ATOM 11 C LIG 1 6.291 -1.557 -2.042 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 3.030 -1.047 1.125 0.00 0.00 -0.022 A ATOM 13 C LIG 1 2.679 -2.293 1.676 0.00 0.00 +0.007 A ATOM 14 C LIG 1 2.766 -2.523 3.054 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.203 -1.510 3.901 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 3.309 -1.794 5.594 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 3.547 -0.266 3.385 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.458 -0.035 2.009 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 0.733 -1.511 -1.290 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -0.040 -2.139 -2.264 0.00 0.00 +0.136 A ATOM 21 N LIG 1 -1.378 -1.960 -2.445 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 -2.049 -1.129 -1.625 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -1.353 -0.446 -0.632 0.00 0.00 +0.045 A ATOM 24 C LIG 1 0.027 -0.634 -0.466 0.00 0.00 +0.028 A BRANCH 22 25 ATOM 25 N LIG 1 -3.430 -0.937 -1.812 0.00 0.00 -0.318 N ATOM 26 C LIG 1 -3.958 -1.696 -2.949 0.00 0.00 +0.130 C BRANCH 25 27 ATOM 27 C LIG 1 -4.262 -0.957 -0.598 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -4.745 0.469 -0.237 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -5.192 0.537 1.228 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -6.482 -0.236 1.511 0.00 0.00 +0.019 C ATOM 31 C LIG 1 -7.524 -0.142 0.370 0.00 0.00 +0.059 C ATOM 32 C LIG 1 -7.248 1.068 -0.537 0.00 0.00 +0.019 C ATOM 33 C LIG 1 -5.856 0.982 -1.179 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 -8.886 -0.275 0.926 0.00 0.00 -0.275 NA ATOM 35 C LIG 1 -9.374 0.923 1.614 0.00 0.00 +0.195 C ATOM 36 N LIG 1 -10.195 1.602 0.663 0.00 0.00 -0.290 N ATOM 37 C LIG 1 -10.851 2.844 0.986 0.00 0.00 +0.133 C ATOM 38 C LIG 1 -10.662 0.734 -0.304 0.00 0.00 +0.230 C ATOM 39 O LIG 1 -11.536 0.946 -1.128 0.00 0.00 -0.274 OA ATOM 40 C LIG 1 -9.897 -0.558 -0.122 0.00 0.00 +0.182 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 42 ATOM 41 C LIG 1 8.846 -1.173 -3.199 0.00 0.00 +0.277 C ATOM 42 O LIG 1 8.217 -0.108 -2.500 0.00 0.00 -0.491 OA ENDBRANCH 1 42 BRANCH 2 43 ATOM 43 O LIG 1 6.964 1.994 -1.539 0.00 0.00 -0.486 OA BRANCH 43 44 ATOM 44 C LIG 1 6.789 2.868 -0.421 0.00 0.00 +0.260 C BRANCH 44 45 ATOM 45 C LIG 1 7.367 2.306 0.880 0.00 0.00 +0.156 C ATOM 46 O LIG 1 7.172 3.242 1.959 0.00 0.00 -0.373 OA ATOM 47 C LIG 1 8.373 3.276 2.746 0.00 0.00 +0.160 C ATOM 48 C LIG 1 9.246 2.132 2.272 0.00 0.00 +0.031 C ATOM 49 C LIG 1 8.861 2.026 0.818 0.00 0.00 +0.037 C ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 2 43 TORSDOF 10