REMARK Name = BDB010969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.011 -0.167 1.087 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.154 0.943 0.880 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.894 0.614 0.357 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.544 -0.748 0.067 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.735 -0.725 -0.417 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -1.115 0.602 -0.428 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.341 -1.883 0.243 0.00 0.00 +0.066 A ATOM 8 N LIG 1 -0.138 1.415 0.057 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 2.606 -1.514 0.781 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.358 1.152 -0.858 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.379 0.337 -1.373 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.633 0.859 -1.774 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.803 2.251 -1.642 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.792 3.077 -1.149 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.573 2.531 -0.757 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.810 -0.096 -2.313 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -6.671 0.428 -3.490 0.00 0.00 +0.177 C ATOM 18 O LIG 1 -6.580 -0.850 -4.166 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 -5.447 -1.208 -3.332 0.00 0.00 +0.177 C BRANCH 16 20 ATOM 20 C LIG 1 -6.706 -0.603 -1.172 0.00 0.00 +0.248 C ATOM 21 F LIG 1 -7.356 0.480 -0.644 0.00 0.00 -0.236 F BRANCH 20 22 ATOM 22 C LIG 1 -5.932 -1.338 -0.127 0.00 0.00 +0.168 A ATOM 23 N LIG 1 -5.718 -0.917 1.161 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -6.208 0.274 1.801 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.906 -1.849 1.733 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -4.634 -2.789 0.860 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.285 -2.474 -0.306 0.00 0.00 -0.132 NA ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 28 ATOM 28 C LIG 1 0.970 -3.304 -0.046 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.061 -3.796 0.838 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.035 -4.155 0.007 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.427 -3.473 -1.283 0.00 0.00 -0.166 F ENDBRANCH 7 28 BRANCH 1 32 ATOM 32 C LIG 1 4.401 0.081 1.661 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 7.465 -0.119 2.964 0.00 0.00 +0.009 C ATOM 34 C LIG 1 7.586 0.825 1.766 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.301 1.629 1.486 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.219 0.925 0.788 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.707 0.242 -0.415 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.906 -0.673 -0.166 0.00 0.00 +0.016 C ATOM 39 C LIG 1 8.049 0.084 0.506 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7