REMARK Name = BDB038561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.840 0.936 0.156 0.00 0.00 +0.009 A ATOM 2 C LIG 1 0.182 0.008 0.347 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.491 0.458 0.402 0.00 0.00 +0.131 A ATOM 4 N LIG 1 1.799 1.772 0.269 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 0.806 2.663 0.083 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -0.524 2.287 0.043 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.574 -0.420 0.597 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.532 -1.787 0.833 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.595 -2.554 0.958 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.928 -2.232 0.943 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.414 -3.507 1.166 0.00 0.00 +0.013 A ATOM 12 C LIG 1 5.798 -3.666 1.232 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.654 -2.559 1.074 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.146 -1.265 0.848 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.761 -1.127 0.786 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.930 0.097 0.564 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 7.053 -0.076 0.680 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.884 0.539 -0.521 0.00 0.00 -0.166 F ATOM 19 F LIG 1 6.832 0.880 1.624 0.00 0.00 -0.166 F ATOM 20 F LIG 1 8.377 -0.383 0.761 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 21 N LIG 1 -4.258 0.343 0.706 0.00 0.00 -0.270 N ATOM 22 N LIG 1 -3.120 0.993 0.983 0.00 0.00 -0.170 NA ATOM 23 C LIG 1 -2.230 0.504 0.103 0.00 0.00 +0.104 A ATOM 24 C LIG 1 -2.854 -0.425 -0.783 0.00 0.00 +0.064 A ATOM 25 C LIG 1 -4.157 -0.516 -0.350 0.00 0.00 +0.120 A BRANCH 24 26 ATOM 26 C LIG 1 -2.211 -1.163 -1.998 0.00 0.00 +0.167 A ATOM 27 N LIG 1 -2.770 -2.097 -2.831 0.00 0.00 -0.316 N ATOM 28 C LIG 1 -4.083 -2.675 -2.775 0.00 0.00 +0.152 C ATOM 29 C LIG 1 -1.813 -2.419 -3.746 0.00 0.00 +0.225 A ATOM 30 N LIG 1 -0.726 -1.728 -3.506 0.00 0.00 -0.138 NA ATOM 31 N LIG 1 -0.975 -0.944 -2.406 0.00 0.00 -0.129 NA ENDBRANCH 24 26 BRANCH 21 32 ATOM 32 C LIG 1 -5.444 0.606 1.501 0.00 0.00 +0.143 C BRANCH 32 34 ATOM 33 C LIG 1 -6.717 0.056 3.600 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -5.467 -0.222 2.782 0.00 0.00 +0.020 C ENDBRANCH 32 34 ENDBRANCH 21 32 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 N LIG 1 1.215 3.989 -0.039 0.00 0.00 -0.329 N ATOM 36 H LIG 1 2.232 3.957 0.017 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 0.750 4.714 -1.218 0.00 0.00 +0.099 C ATOM 38 C LIG 1 1.401 4.202 -2.494 0.00 0.00 +0.024 C ENDBRANCH 35 37 ENDBRANCH 5 35 TORSDOF 8