REMARK Name = BDB033547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.778 -0.301 -0.026 0.00 0.00 -0.011 A ATOM 2 C LIG 1 2.823 -1.283 -0.318 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.473 -0.912 -0.414 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.390 -1.697 -0.680 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -0.665 -0.906 -0.655 0.00 0.00 +0.132 A ATOM 6 N LIG 1 -0.280 0.404 -0.393 0.00 0.00 -0.323 N ATOM 7 C LIG 1 1.094 0.412 -0.225 0.00 0.00 +0.069 A ATOM 8 C LIG 1 2.034 1.410 0.068 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.379 1.028 0.161 0.00 0.00 +0.011 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.167 1.562 -0.304 0.00 0.00 +0.089 C ATOM 11 C LIG 1 -1.211 2.169 1.109 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -2.193 3.340 1.181 0.00 0.00 +0.013 C ATOM 13 C LIG 1 -1.859 4.384 0.110 0.00 0.00 +0.018 C ATOM 14 C LIG 1 -2.689 5.679 0.248 0.00 0.00 +0.169 C ATOM 15 O LIG 1 -1.567 6.375 0.844 0.00 0.00 -0.379 OA ATOM 16 C LIG 1 -0.669 5.314 0.443 0.00 0.00 +0.169 C ATOM 17 C LIG 1 -1.869 3.784 -1.296 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -0.876 2.624 -1.380 0.00 0.00 +0.026 C ENDBRANCH 6 10 BRANCH 1 21 ATOM 19 C LIG 1 5.735 -1.753 -2.245 0.00 0.00 +0.070 C ATOM 20 C LIG 1 6.038 -1.296 -0.869 0.00 0.00 +0.088 A ATOM 21 C LIG 1 5.176 -0.665 0.067 0.00 0.00 +0.047 A ATOM 22 C LIG 1 5.971 -0.473 1.176 0.00 0.00 +0.142 A ATOM 23 C LIG 1 5.761 0.090 2.524 0.00 0.00 +0.090 C ATOM 24 O LIG 1 7.223 -0.937 0.914 0.00 0.00 -0.359 OA ATOM 25 N LIG 1 7.269 -1.456 -0.366 0.00 0.00 -0.083 NA ENDBRANCH 1 21 BRANCH 5 26 ATOM 26 C LIG 1 -2.093 -1.362 -0.864 0.00 0.00 +0.147 C ATOM 27 N LIG 1 -2.265 -2.793 -0.547 0.00 0.00 -0.261 N ATOM 28 C LIG 1 -1.965 -3.754 -1.524 0.00 0.00 +0.220 C ATOM 29 O LIG 1 -2.095 -4.971 -1.386 0.00 0.00 -0.275 OA ATOM 30 C LIG 1 -1.356 -3.240 -2.818 0.00 0.00 +0.096 C ATOM 31 C LIG 1 -1.897 -1.919 -3.335 0.00 0.00 +0.011 C ATOM 32 C LIG 1 -2.601 -1.083 -2.280 0.00 0.00 +0.031 C BRANCH 27 33 ATOM 33 C LIG 1 -2.735 -3.161 0.765 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -3.463 -4.341 0.985 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -3.925 -4.672 2.259 0.00 0.00 +0.160 A ATOM 36 F LIG 1 -4.635 -5.796 2.429 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -3.671 -3.842 3.338 0.00 0.00 +0.159 A ATOM 38 F LIG 1 -4.118 -4.159 4.561 0.00 0.00 -0.202 F ATOM 39 C LIG 1 -2.950 -2.671 3.158 0.00 0.00 +0.043 A ATOM 40 C LIG 1 -2.489 -2.333 1.880 0.00 0.00 +0.026 A ENDBRANCH 27 33 ENDBRANCH 5 26 TORSDOF 4