REMARK Name = BDB014189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.820 -0.014 -0.046 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.658 -0.816 1.080 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.409 -0.678 1.880 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.603 -1.789 1.392 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.734 -1.943 0.587 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.938 -1.113 -0.526 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.964 -0.153 -0.843 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.328 2.180 -0.560 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.140 1.058 -0.373 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.498 0.769 -0.463 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -2.027 -0.558 -0.811 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.443 -0.790 -0.256 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -4.336 0.320 -0.625 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -3.829 1.658 -0.264 0.00 0.00 +0.127 C ATOM 15 C LIG 1 -2.403 1.873 -0.800 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 -5.675 0.114 -0.259 0.00 0.00 +0.220 A ATOM 17 N LIG 1 -6.461 1.184 -0.089 0.00 0.00 -0.193 NA ATOM 18 C LIG 1 -7.733 0.912 0.231 0.00 0.00 +0.182 A ATOM 19 C LIG 1 -8.223 -0.370 0.375 0.00 0.00 +0.104 A ATOM 20 N LIG 1 -9.540 -0.212 0.696 0.00 0.00 -0.342 N ATOM 21 H LIG 1 -10.212 -0.946 0.872 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 -9.791 1.133 0.738 0.00 0.00 +0.199 A ATOM 23 C LIG 1 -7.386 -1.437 0.186 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -8.716 1.838 0.462 0.00 0.00 -0.216 NA ATOM 25 N LIG 1 -6.103 -1.167 -0.133 0.00 0.00 -0.221 NA ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 4.170 -1.260 -1.392 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 5.471 -1.251 -0.600 0.00 0.00 +0.074 A ATOM 28 C LIG 1 6.026 0.030 -0.090 0.00 0.00 +0.011 A ATOM 29 C LIG 1 7.212 -0.038 0.639 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.800 1.122 1.159 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.194 2.359 0.947 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.008 2.435 0.218 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.847 -1.347 0.860 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.891 -1.455 1.492 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 7.202 -2.431 0.316 0.00 0.00 -0.242 N ATOM 36 H LIG 1 7.628 -3.342 0.456 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.423 1.275 -0.302 0.00 0.00 +0.010 A ATOM 38 N LIG 1 6.044 -2.402 -0.395 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4