REMARK Name = BDB024319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.796 1.937 0.362 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.434 3.408 0.506 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.668 4.294 -0.558 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.340 5.646 -0.444 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.217 6.132 0.737 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.440 5.269 1.808 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.112 3.917 1.697 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.371 1.019 0.837 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.418 0.984 -0.060 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.397 1.595 -0.866 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.320 0.406 1.903 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.605 0.260 0.020 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.441 0.498 -1.013 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 4.628 -0.163 -1.024 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.038 -1.068 -0.053 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.146 -1.293 0.998 0.00 0.00 +0.015 A ATOM 17 C LIG 1 2.918 -0.626 1.038 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.326 -1.748 -0.119 0.00 0.00 +0.114 A ATOM 19 N LIG 1 6.731 -2.624 0.819 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 7.946 -2.989 0.372 0.00 0.00 -0.186 N ATOM 21 C LIG 1 8.742 -3.958 1.083 0.00 0.00 +0.197 C ATOM 22 N LIG 1 8.376 -2.451 -0.783 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 7.350 -1.655 -1.095 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.038 1.646 1.119 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.751 1.559 2.098 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.663 0.377 0.717 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.690 1.300 -1.454 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.946 0.584 -0.123 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.655 -0.746 -0.352 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.085 -1.760 -1.135 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.751 -2.974 -1.326 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.006 -3.199 -0.743 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -6.573 -2.190 0.048 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.905 -0.977 0.239 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -6.716 -4.516 -0.930 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -8.074 -4.398 -0.923 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.406 -5.131 -2.106 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.415 -5.412 0.050 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9