REMARK Name = BDB005968 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.389 0.827 -0.612 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.034 -0.266 0.189 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.717 -0.727 0.228 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.709 -0.066 -0.487 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.280 -0.566 -0.448 0.00 0.00 +0.137 C ATOM 6 N LIG 1 -0.284 0.476 -0.739 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -0.563 1.565 -1.550 0.00 0.00 +0.221 C ATOM 8 C LIG 1 -1.983 1.750 -2.052 0.00 0.00 +0.131 C ATOM 9 O LIG 1 0.301 2.373 -1.898 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.046 1.051 -1.256 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.384 1.484 -1.327 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -1.068 -1.824 -1.286 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -0.926 -3.070 -0.646 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.736 -4.239 -1.387 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.687 -4.177 -2.777 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.454 -5.617 -3.690 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.828 -2.956 -3.432 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.019 -1.785 -2.690 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 1.089 0.249 -0.242 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.512 1.325 0.769 0.00 0.00 +0.023 C ATOM 21 C LIG 1 2.971 1.142 1.169 0.00 0.00 +0.013 C ATOM 22 C LIG 1 3.923 1.267 -0.026 0.00 0.00 +0.056 C ATOM 23 C LIG 1 3.248 1.055 -1.389 0.00 0.00 +0.013 C ATOM 24 C LIG 1 2.119 0.023 -1.366 0.00 0.00 +0.023 C BRANCH 22 25 ATOM 25 C LIG 1 5.096 0.301 0.143 0.00 0.00 +0.140 C ATOM 26 O LIG 1 4.955 -0.910 -0.035 0.00 0.00 -0.297 OA BRANCH 25 27 ATOM 27 C LIG 1 6.426 0.898 0.601 0.00 0.00 +0.060 C ATOM 28 C LIG 1 6.378 1.157 2.111 0.00 0.00 +0.039 C ATOM 29 C LIG 1 7.764 1.026 2.723 0.00 0.00 +0.160 C ATOM 30 O LIG 1 8.309 -0.281 2.563 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 7.946 -0.959 1.358 0.00 0.00 +0.160 C ATOM 32 C LIG 1 7.609 -0.005 0.219 0.00 0.00 +0.039 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 34 ATOM 33 C LIG 1 -7.128 2.135 -1.585 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.714 1.170 -0.628 0.00 0.00 -0.491 OA ENDBRANCH 1 34 BRANCH 2 35 ATOM 35 O LIG 1 -5.958 -0.989 0.901 0.00 0.00 -0.486 OA BRANCH 35 36 ATOM 36 C LIG 1 -6.446 -0.272 2.047 0.00 0.00 +0.167 C ATOM 37 C LIG 1 -5.774 -0.844 3.292 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.955 -0.479 2.114 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7