REMARK Name = BDB005784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.591 0.135 0.030 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.287 -0.957 -0.458 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -1.627 -0.572 -1.754 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.291 -1.450 -2.612 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -2.576 -2.699 -2.093 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -2.265 -3.075 -0.831 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -1.232 0.710 -2.018 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.636 -2.223 0.020 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -0.650 1.135 -0.924 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.097 2.361 -0.710 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -0.977 3.313 0.019 0.00 0.00 +0.133 C ATOM 12 C LIG 1 -1.823 4.216 -0.877 0.00 0.00 +0.166 C ATOM 13 C LIG 1 -2.191 5.332 0.096 0.00 0.00 +0.193 C ATOM 14 O LIG 1 -1.129 5.434 1.069 0.00 0.00 -0.375 OA ATOM 15 O LIG 1 -1.076 4.787 -1.967 0.00 0.00 -0.371 OA ATOM 16 C LIG 1 -0.471 3.753 -2.754 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -0.220 4.341 0.850 0.00 0.00 +0.185 C ATOM 18 C LIG 1 0.536 2.967 -1.909 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -3.260 -3.735 -2.905 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -3.791 -3.455 -4.107 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -3.850 -2.591 -4.615 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -4.342 -4.591 -4.562 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -4.934 -4.714 -5.622 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -4.132 -5.580 -3.640 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.420 -4.972 -2.559 0.00 0.00 -0.053 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -1.409 -2.728 1.361 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -0.486 -3.752 1.611 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -0.290 -4.205 2.911 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 0.856 -5.438 3.242 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -1.029 -3.628 3.932 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -1.943 -2.647 3.736 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -2.125 -2.241 2.456 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.172 0.237 1.264 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.050 0.883 0.699 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.521 -0.415 1.317 0.00 0.00 -0.014 C ATOM 36 C LIG 1 3.680 -1.220 0.309 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.175 -1.210 0.595 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.700 0.166 1.074 0.00 0.00 +0.009 C ATOM 39 C LIG 1 2.408 0.562 2.385 0.00 0.00 +0.005 C ATOM 40 C LIG 1 3.746 -0.145 2.609 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5