REMARK Name = BDB026925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.938 -1.427 0.741 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.764 -2.860 0.254 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.842 -3.919 1.175 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.695 -5.242 0.755 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.476 -5.526 -0.591 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.410 -4.489 -1.518 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.557 -3.164 -1.101 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.082 -0.382 -0.036 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.572 0.392 -0.862 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.636 1.854 -1.022 0.00 0.00 +0.128 A ATOM 11 N LIG 1 4.755 0.825 -0.130 0.00 0.00 -0.225 NA ATOM 12 C LIG 1 3.574 0.240 0.141 0.00 0.00 +0.140 A ATOM 13 C LIG 1 2.320 0.564 -0.368 0.00 0.00 +0.029 A ATOM 14 C LIG 1 1.371 -0.343 0.216 0.00 0.00 +0.046 A ATOM 15 C LIG 1 2.099 -1.177 1.055 0.00 0.00 +0.096 A ATOM 16 C LIG 1 2.260 1.634 -1.280 0.00 0.00 +0.014 A ATOM 17 N LIG 1 3.420 -0.814 0.996 0.00 0.00 -0.345 N ATOM 18 H LIG 1 4.184 -1.247 1.495 0.00 0.00 +0.167 HD ATOM 19 C LIG 1 3.450 2.286 -1.607 0.00 0.00 +0.034 A BRANCH 10 23 ATOM 20 C LIG 1 8.332 2.652 -0.872 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.040 2.034 -0.762 0.00 0.00 -0.313 N ATOM 22 H LIG 1 6.873 1.305 -0.074 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 5.918 2.557 -1.373 0.00 0.00 +0.262 C ATOM 24 O LIG 1 5.939 3.519 -2.132 0.00 0.00 -0.269 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.362 -1.032 0.891 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.790 -1.621 1.603 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.172 -1.114 -0.330 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.602 -0.586 -0.096 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.763 0.864 0.314 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.913 1.240 1.028 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.121 2.570 1.403 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.186 3.549 1.060 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.047 3.190 0.336 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.842 1.859 -0.039 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.396 4.913 1.446 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.571 6.016 1.761 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9