REMARK Name = BDB035278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.586 -1.494 -0.027 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -2.009 -2.698 -0.496 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.323 -3.036 -0.500 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.269 -2.150 0.001 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.878 -0.905 0.496 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.513 -0.593 0.484 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.943 0.855 0.153 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.623 1.189 0.370 0.00 0.00 -0.353 N ATOM 9 H LIG 1 2.276 2.091 0.669 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.828 0.101 0.123 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.644 -0.938 -0.250 0.00 0.00 +0.010 A ATOM 12 C LIG 1 2.045 -2.196 -0.557 0.00 0.00 -0.018 A ATOM 13 C LIG 1 0.698 -2.290 -0.480 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.161 -1.237 -0.084 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.386 0.041 0.225 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.237 1.052 0.537 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.975 -0.473 -0.245 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 2.937 -3.295 -0.975 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.891 -3.897 0.030 0.00 0.00 +0.009 C ATOM 20 C LIG 1 2.719 -4.696 -0.452 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 5.049 1.847 0.334 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 6.992 4.488 0.945 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.599 3.333 1.745 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.381 1.954 1.093 0.00 0.00 +0.088 C ATOM 25 N LIG 1 6.058 1.343 1.263 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.636 1.352 2.668 0.00 0.00 +0.085 C ATOM 27 C LIG 1 5.710 2.729 3.330 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.107 3.331 3.198 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -4.871 0.055 1.016 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -5.937 0.557 0.236 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -6.885 1.438 0.767 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.758 1.849 2.085 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -7.655 2.699 2.600 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.713 1.394 2.878 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -4.777 0.501 2.348 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -6.118 0.158 -1.173 0.00 0.00 +0.247 C ATOM 37 N LIG 1 -5.351 0.796 -2.122 0.00 0.00 -0.298 N ATOM 38 C LIG 1 -5.434 0.426 -3.523 0.00 0.00 +0.108 C ATOM 39 C LIG 1 -4.266 1.149 -4.175 0.00 0.00 +0.020 C ATOM 40 C LIG 1 -4.123 2.402 -3.320 0.00 0.00 +0.020 C ATOM 41 C LIG 1 -4.410 1.889 -1.917 0.00 0.00 +0.108 C ATOM 42 O LIG 1 -6.948 -0.711 -1.426 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 -3.675 -4.394 -1.075 0.00 0.00 +0.038 C ATOM 44 C LIG 1 -4.917 -4.595 -1.913 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -4.826 -5.219 -0.549 0.00 0.00 +0.010 C ENDBRANCH 3 43 TORSDOF 7