REMARK Name = BDB035874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.782 0.085 -2.245 0.00 0.00 +0.065 A ATOM 2 C LIG 1 -0.163 0.115 -1.090 0.00 0.00 +0.266 A ATOM 3 O LIG 1 0.220 0.505 0.017 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.463 -0.320 -1.353 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -1.817 -0.763 -2.628 0.00 0.00 +0.152 A ATOM 6 C LIG 1 -3.225 -1.212 -2.822 0.00 0.00 +0.098 A ATOM 7 C LIG 1 -4.075 -1.171 -1.782 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.661 -0.697 -0.479 0.00 0.00 -0.016 A ATOM 9 N LIG 1 -0.984 -0.799 -3.620 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -2.390 -0.301 -0.316 0.00 0.00 +0.101 A ATOM 11 C LIG 1 0.295 -0.377 -3.403 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.328 0.425 -0.885 0.00 0.00 -0.033 A ATOM 13 C LIG 1 2.994 0.012 -1.089 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.188 0.514 -2.125 0.00 0.00 -0.011 A ATOM 15 C LIG 1 2.736 1.447 -3.010 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.054 1.867 -2.856 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.829 1.366 -1.808 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 6.668 -3.305 0.602 0.00 0.00 +0.007 C ATOM 19 C LIG 1 5.863 -2.143 0.060 0.00 0.00 -0.012 C ATOM 20 C LIG 1 6.593 -0.782 -0.043 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.231 -0.091 0.347 0.00 0.00 +0.056 C ATOM 22 C LIG 1 4.891 -1.455 1.048 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 5.410 1.080 1.396 0.00 0.00 +0.144 A ATOM 24 N LIG 1 4.431 1.709 2.117 0.00 0.00 -0.320 N ATOM 25 C LIG 1 3.015 1.464 2.097 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.066 2.651 2.867 0.00 0.00 +0.224 A ATOM 27 N LIG 1 6.355 2.609 2.628 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.573 1.623 1.696 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -3.589 -1.677 -4.188 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -3.443 -0.712 -5.131 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.896 -2.064 -4.254 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.868 -2.756 -4.585 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 -4.677 -0.689 0.645 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.858 0.118 0.326 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 -7.033 -0.209 1.158 0.00 0.00 +0.116 C ATOM 36 C LIG 1 -7.092 0.420 2.572 0.00 0.00 +0.129 C ATOM 37 C LIG 1 -6.256 -0.299 3.626 0.00 0.00 +0.039 C ATOM 38 O LIG 1 -6.787 1.823 2.549 0.00 0.00 -0.374 OA ATOM 39 C LIG 1 -5.583 2.125 1.837 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -5.615 1.573 0.404 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6