REMARK Name = BDB064563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.725 -0.474 1.103 0.00 0.00 -0.011 A ATOM 2 C LIG 1 2.914 -1.540 0.693 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.663 -1.263 0.120 0.00 0.00 +0.090 A ATOM 4 N LIG 1 0.725 -2.139 -0.344 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 -0.289 -1.407 -0.771 0.00 0.00 +0.132 A ATOM 6 N LIG 1 -0.013 -0.053 -0.618 0.00 0.00 -0.323 N ATOM 7 C LIG 1 1.240 0.052 -0.038 0.00 0.00 +0.069 A ATOM 8 C LIG 1 2.040 1.131 0.358 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.287 0.843 0.930 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 6.291 -2.142 -0.120 0.00 0.00 +0.070 C ATOM 11 C LIG 1 6.137 -1.466 1.189 0.00 0.00 +0.088 A ATOM 12 C LIG 1 5.020 -0.744 1.689 0.00 0.00 +0.047 A ATOM 13 C LIG 1 5.420 -0.340 2.945 0.00 0.00 +0.142 A ATOM 14 C LIG 1 4.791 0.417 4.044 0.00 0.00 +0.090 C ATOM 15 O LIG 1 6.689 -0.776 3.171 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 7.141 -1.484 2.075 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -0.876 1.060 -1.006 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.377 1.912 0.174 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -1.036 3.392 0.021 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -1.392 3.968 -1.277 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 -2.712 4.596 -1.268 0.00 0.00 +0.104 C ATOM 22 C LIG 1 -1.234 3.073 -2.426 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -0.293 1.903 -2.147 0.00 0.00 +0.040 C ENDBRANCH 6 17 BRANCH 5 24 ATOM 24 C LIG 1 -1.546 -2.028 -1.362 0.00 0.00 +0.147 C ATOM 25 N LIG 1 -2.794 -1.589 -0.684 0.00 0.00 -0.261 N ATOM 26 C LIG 1 -4.017 -1.588 -1.379 0.00 0.00 +0.220 C ATOM 27 O LIG 1 -5.124 -1.408 -0.870 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -3.952 -1.905 -2.855 0.00 0.00 +0.096 C ATOM 29 C LIG 1 -2.750 -1.257 -3.492 0.00 0.00 +0.011 C ATOM 30 C LIG 1 -1.496 -1.861 -2.899 0.00 0.00 +0.031 C BRANCH 25 31 ATOM 31 C LIG 1 -2.835 -1.524 0.763 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -3.717 -0.645 1.412 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -3.738 -0.551 2.803 0.00 0.00 +0.160 A ATOM 34 F LIG 1 -4.574 0.318 3.389 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -2.892 -1.330 3.575 0.00 0.00 +0.159 A ATOM 36 F LIG 1 -2.909 -1.232 4.911 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -2.017 -2.215 2.965 0.00 0.00 +0.043 A ATOM 38 C LIG 1 -1.990 -2.312 1.568 0.00 0.00 +0.026 A ENDBRANCH 25 31 ENDBRANCH 5 24 TORSDOF 4