REMARK Name = BDB026065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.335 -0.443 0.702 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.522 0.661 0.331 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.875 0.535 0.295 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.518 -0.664 0.650 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.697 -1.730 1.034 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.234 -2.906 1.394 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.696 -1.631 1.062 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.474 -2.201 -2.225 0.00 0.00 -0.011 C ATOM 9 C LIG 1 -3.844 -2.025 -0.842 0.00 0.00 -0.052 C ATOM 10 N LIG 1 -4.836 -2.422 0.314 0.00 0.00 +0.380 N ATOM 11 C LIG 1 -5.182 -3.913 0.230 0.00 0.00 -0.092 C ATOM 12 C LIG 1 -6.139 -1.629 0.291 0.00 0.00 -0.092 C ATOM 13 C LIG 1 -4.103 -2.198 1.670 0.00 0.00 -0.056 C ATOM 14 C LIG 1 -3.518 -0.778 1.823 0.00 0.00 +0.087 C ATOM 15 N LIG 1 -2.737 -0.312 0.663 0.00 0.00 -0.332 N ATOM 16 C LIG 1 -3.324 -0.570 -0.670 0.00 0.00 +0.090 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.984 -0.782 0.623 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.841 0.213 1.051 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.189 0.129 1.039 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.747 -0.999 0.577 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.005 -2.028 0.138 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.660 -1.898 0.171 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.120 -1.123 0.581 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.946 0.085 0.669 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.923 0.141 -0.517 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.794 -0.998 -0.611 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.226 -2.199 -0.066 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.694 -2.250 -0.157 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.199 1.872 0.049 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.204 1.808 0.183 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.645 3.094 -0.261 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.541 3.361 -0.386 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.663 4.175 -0.393 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.622 4.266 -1.488 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.484 5.303 -1.523 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.471 6.336 -0.458 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.277 7.255 -0.462 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.516 6.175 0.513 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -2.484 6.901 1.223 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.624 5.132 0.549 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.603 3.221 -2.556 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.061 2.033 -2.071 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.370 2.993 -3.060 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.410 3.526 -3.604 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6