REMARK Name = BDB061742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.308 -0.232 -0.716 0.00 0.00 -0.046 A ATOM 2 C LIG 1 -0.683 -1.414 -0.069 0.00 0.00 +0.005 A ATOM 3 C LIG 1 -2.034 -1.717 0.124 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -3.034 -0.841 -0.314 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.659 0.337 -0.962 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.307 0.641 -1.159 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.373 -1.224 -0.090 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -4.504 -2.092 0.405 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -5.513 -0.454 -0.272 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -6.646 -1.231 -0.078 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -6.503 -2.228 -0.125 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -5.521 0.735 -0.561 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 -7.989 -0.799 -0.056 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -8.374 0.543 -0.015 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -9.734 0.905 0.019 0.00 0.00 +0.057 A ATOM 16 C LIG 1 -10.709 -0.102 0.006 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -10.332 -1.443 -0.024 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -8.980 -1.788 -0.050 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 C LIG 1 -10.125 2.362 0.040 0.00 0.00 +0.417 C ATOM 20 F LIG 1 -11.410 2.565 0.450 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -10.032 2.944 -1.187 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -9.352 3.111 0.875 0.00 0.00 -0.166 F ENDBRANCH 15 19 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 1.151 0.108 -0.903 0.00 0.00 +0.054 C BRANCH 23 24 ATOM 24 C LIG 1 1.721 0.838 0.319 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 N LIG 1 3.127 1.206 0.119 0.00 0.00 -0.328 N ATOM 26 H LIG 1 3.380 1.997 0.706 0.00 0.00 +0.147 HD BRANCH 25 36 ATOM 27 C LIG 1 8.218 0.841 -0.192 0.00 0.00 +0.158 A ATOM 28 C LIG 1 7.329 1.886 -0.434 0.00 0.00 +0.166 A ATOM 29 F LIG 1 7.783 3.085 -0.827 0.00 0.00 -0.202 F ATOM 30 C LIG 1 5.960 1.712 -0.280 0.00 0.00 +0.055 A ATOM 31 C LIG 1 5.444 0.465 0.137 0.00 0.00 +0.043 A ATOM 32 C LIG 1 6.330 -0.596 0.378 0.00 0.00 +0.080 A ATOM 33 N LIG 1 5.913 -1.806 0.757 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 4.592 -1.970 0.889 0.00 0.00 +0.223 A ATOM 35 N LIG 1 3.653 -1.039 0.693 0.00 0.00 -0.220 NA ATOM 36 C LIG 1 4.078 0.182 0.331 0.00 0.00 +0.130 A ATOM 37 C LIG 1 7.698 -0.390 0.215 0.00 0.00 +0.077 A BRANCH 27 38 ATOM 38 O LIG 1 9.540 1.137 -0.369 0.00 0.00 -0.489 OA BRANCH 38 40 ATOM 39 C LIG 1 11.020 -0.090 1.107 0.00 0.00 +0.048 C ATOM 40 C LIG 1 10.504 0.088 -0.310 0.00 0.00 +0.226 C ENDBRANCH 38 40 ENDBRANCH 27 38 ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 9