REMARK Name = BDB037334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.541 2.165 0.960 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.544 1.193 0.750 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.300 -0.108 0.338 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.536 -0.796 0.503 0.00 0.00 +0.093 A ATOM 5 N LIG 1 -3.454 0.026 1.034 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.052 -0.546 -0.126 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.879 0.699 -0.515 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.911 1.268 0.982 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.764 1.803 0.561 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.779 2.351 1.010 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.687 -1.385 0.982 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.746 -0.987 2.333 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.384 -1.784 3.287 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.973 -2.981 2.901 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.587 -3.740 3.819 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.938 -3.397 1.579 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.304 -2.600 0.623 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.779 2.393 1.034 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.991 2.297 1.733 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.852 3.395 1.791 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.522 4.577 1.130 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.342 4.658 0.398 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.472 3.566 0.340 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.290 0.404 -0.760 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.956 0.778 -0.092 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.723 -0.190 -1.916 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.984 -0.490 -2.845 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.182 -0.432 -1.993 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.853 -0.169 -3.194 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.244 -0.362 -3.285 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.935 -0.858 -2.165 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.258 -1.143 -0.975 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.883 -0.927 -0.885 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.984 -0.066 -4.564 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.248 0.390 -4.342 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.379 0.886 -5.330 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.113 -1.164 -5.357 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.906 -2.260 0.225 0.00 0.00 +0.082 C ATOM 39 C LIG 1 -2.525 -3.117 1.454 0.00 0.00 +0.039 C ATOM 40 C LIG 1 -4.426 -2.450 0.003 0.00 0.00 +0.039 C BRANCH 38 41 ATOM 41 N LIG 1 -2.180 -2.744 -1.030 0.00 0.00 -0.261 N ATOM 42 C LIG 1 -2.582 -2.040 -2.285 0.00 0.00 +0.142 C BRANCH 41 43 ATOM 43 C LIG 1 -1.608 -3.958 -1.115 0.00 0.00 +0.170 C ATOM 44 N LIG 1 -1.124 -5.008 -1.183 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 4 38 BRANCH 1 46 ATOM 45 C LIG 1 -0.285 4.613 1.425 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.641 3.233 1.966 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9