REMARK Name = BDB007208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.423 -0.509 -0.407 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -5.194 0.654 -0.566 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.700 1.860 -0.059 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.471 1.897 0.617 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -2.905 3.176 1.165 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.381 3.234 1.111 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -0.696 2.010 1.234 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -1.454 0.804 1.641 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -0.842 4.341 1.030 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.743 0.722 0.831 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -3.223 -0.482 0.306 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.694 0.697 3.158 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.373 -0.422 3.680 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.596 -0.559 5.054 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.133 0.415 5.932 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.404 0.246 7.621 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.445 1.521 5.447 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.223 1.659 4.072 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 0.735 1.918 1.075 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.480 0.891 1.663 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.872 0.795 1.483 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.591 1.704 0.699 0.00 0.00 +0.030 A ATOM 23 C LIG 1 2.837 2.738 0.130 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.446 2.841 0.306 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.967 1.600 0.526 0.00 0.00 -0.333 N ATOM 26 C LIG 1 5.720 2.747 0.022 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.627 0.287 0.423 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 5.826 -0.179 -1.040 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.514 -0.525 -1.767 0.00 0.00 +0.006 C ATOM 30 C LIG 1 3.874 -1.823 -1.267 0.00 0.00 +0.019 C ATOM 31 C LIG 1 4.837 -3.016 -1.312 0.00 0.00 +0.051 C ATOM 32 C LIG 1 6.153 -2.682 -0.598 0.00 0.00 +0.019 C ATOM 33 C LIG 1 6.788 -1.382 -1.100 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 5.104 -3.400 -2.700 0.00 0.00 -0.327 NA ATOM 35 H LIG 1 4.230 -3.648 -3.162 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 5.688 -4.235 -2.720 0.00 0.00 +0.118 HD ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 37 ATOM 37 O LIG 1 -6.390 0.512 -1.218 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -7.250 1.643 -1.265 0.00 0.00 +0.277 C ENDBRANCH 2 37 BRANCH 1 39 ATOM 39 O LIG 1 -4.833 -1.742 -0.850 0.00 0.00 -0.485 OA BRANCH 39 40 ATOM 40 C LIG 1 -4.851 -1.842 -2.288 0.00 0.00 +0.170 C ATOM 41 C LIG 1 -6.157 -2.537 -2.667 0.00 0.00 +0.052 C BRANCH 40 43 ATOM 42 C LIG 1 -3.473 -2.801 -4.220 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -3.617 -2.652 -2.714 0.00 0.00 +0.041 C ENDBRANCH 40 43 ENDBRANCH 39 40 ENDBRANCH 1 39 TORSDOF 10