REMARK Name = BDB035887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.110 -0.157 -0.346 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.807 -0.477 -0.307 0.00 0.00 +0.101 A ATOM 3 N LIG 1 1.007 -0.497 -1.444 0.00 0.00 -0.267 N ATOM 4 C LIG 1 1.532 -0.187 -2.698 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.823 -0.186 -3.783 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.501 -0.498 -3.685 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -1.145 -0.828 -2.559 0.00 0.00 +0.065 A ATOM 8 C LIG 1 2.984 0.151 -2.759 0.00 0.00 +0.098 A ATOM 9 C LIG 1 -0.338 -0.839 -1.304 0.00 0.00 +0.266 A ATOM 10 O LIG 1 -0.868 -1.144 -0.232 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.706 0.152 -1.626 0.00 0.00 +0.022 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.585 -1.142 -2.566 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -3.457 -0.457 -1.706 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.825 -0.776 -1.643 0.00 0.00 -0.036 A ATOM 15 C LIG 1 -5.311 -1.790 -2.485 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.458 -2.463 -3.360 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.101 -2.145 -3.397 0.00 0.00 +0.009 A BRANCH 14 18 ATOM 18 C LIG 1 -5.784 -0.105 -0.656 0.00 0.00 +0.090 C BRANCH 18 19 ATOM 19 C LIG 1 -6.144 -0.987 0.515 0.00 0.00 +0.141 A ATOM 20 N LIG 1 -5.294 -1.709 1.320 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -3.861 -1.822 1.269 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -6.085 -2.348 2.228 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -7.342 -2.048 2.010 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -7.381 -1.197 0.936 0.00 0.00 -0.134 NA ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -5.390 1.337 -0.364 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -4.765 1.810 0.931 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.189 2.168 0.616 0.00 0.00 +0.005 C ENDBRANCH 18 25 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.532 0.467 -4.106 0.00 0.00 +0.421 C ATOM 29 F LIG 1 2.947 1.551 -4.675 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.864 0.757 -4.044 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.424 -0.569 -4.976 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 1 32 ATOM 32 C LIG 1 3.981 -0.159 0.893 0.00 0.00 +0.121 C BRANCH 32 36 ATOM 33 C LIG 1 6.268 -0.457 3.277 0.00 0.00 +0.009 C ATOM 34 C LIG 1 5.578 0.882 3.544 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.102 0.911 3.103 0.00 0.00 +0.088 C ATOM 36 N LIG 1 3.845 1.078 1.666 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 4.591 2.219 1.124 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.091 2.177 1.422 0.00 0.00 +0.016 C ATOM 39 C LIG 1 6.352 2.051 2.921 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7