REMARK Name = BDB026473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.437 -2.053 1.546 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.306 -0.881 1.696 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -0.088 0.021 2.488 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.334 -0.920 0.757 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.387 -2.216 0.114 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.008 -2.771 0.364 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.764 -2.212 2.108 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.722 -0.461 -0.400 0.00 0.00 +0.055 A ATOM 9 C LIG 1 4.306 -1.773 -0.539 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.393 -2.354 0.273 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 2.841 -1.580 1.250 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.186 -0.240 1.426 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.141 0.332 0.586 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 5.273 0.686 -2.322 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 5.702 0.090 -1.341 0.00 0.00 +0.248 C ATOM 16 N LIG 1 7.053 -0.126 -1.083 0.00 0.00 -0.297 N ATOM 17 C LIG 1 8.036 0.296 -2.082 0.00 0.00 +0.114 C ATOM 18 C LIG 1 9.064 -0.799 -2.309 0.00 0.00 +0.094 C ATOM 19 C LIG 1 9.728 -1.205 -1.003 0.00 0.00 +0.252 C ATOM 20 F LIG 1 11.024 -0.801 -1.013 0.00 0.00 -0.206 F ATOM 21 F LIG 1 9.764 -2.564 -0.939 0.00 0.00 -0.206 F ATOM 22 C LIG 1 9.062 -0.676 0.252 0.00 0.00 +0.094 C ATOM 23 C LIG 1 7.555 -0.796 0.119 0.00 0.00 +0.114 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -2.445 0.016 0.733 0.00 0.00 +0.142 C BRANCH 24 25 ATOM 25 C LIG 1 -3.614 -0.412 1.631 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -4.353 -1.467 0.987 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -4.986 -0.997 0.405 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.603 0.739 1.938 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.445 1.056 0.759 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -6.836 1.332 1.185 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -7.735 1.802 0.060 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.192 2.360 -1.112 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.042 2.834 -2.118 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -9.426 2.777 -1.956 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.969 2.237 -0.793 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.698 2.389 -1.304 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -9.129 1.751 0.211 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.937 2.225 0.018 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 8