REMARK Name = BDB035176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.040 -0.455 0.358 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.354 -1.743 0.576 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -2.594 -2.388 -0.331 0.00 0.00 -0.217 N ATOM 4 C LIG 1 -1.884 -1.471 -1.062 0.00 0.00 +0.178 A ATOM 5 C LIG 1 -1.000 -1.944 -2.095 0.00 0.00 +0.090 A ATOM 6 N LIG 1 -0.884 -3.224 -2.353 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 -1.630 -4.109 -1.593 0.00 0.00 +0.131 A ATOM 8 C LIG 1 -2.461 -3.736 -0.607 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -2.155 -0.246 -0.679 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.317 0.872 2.430 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -3.616 0.644 1.096 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -4.494 1.544 0.497 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -5.016 2.583 1.201 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -4.662 2.699 2.488 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.829 1.891 3.149 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.904 1.429 -0.961 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.330 1.723 -1.375 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.824 0.313 -1.405 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -2.158 0.342 4.409 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -2.415 0.021 3.046 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.178 -0.939 -2.871 0.00 0.00 +0.094 C BRANCH 21 22 ATOM 22 C LIG 1 1.110 -0.597 -2.159 0.00 0.00 -0.039 A ATOM 23 C LIG 1 2.218 -1.447 -2.249 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.396 -1.143 -1.563 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.422 -2.001 -1.670 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.508 0.009 -0.781 0.00 0.00 +0.053 A ATOM 27 C LIG 1 2.385 0.842 -0.673 0.00 0.00 +0.014 A ATOM 28 C LIG 1 1.200 0.547 -1.357 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 4.722 0.353 -0.034 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.021 0.292 -0.495 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.477 -0.040 -1.825 0.00 0.00 +0.150 C ATOM 32 C LIG 1 6.855 0.688 0.518 0.00 0.00 +0.119 A ATOM 33 C LIG 1 6.035 1.024 1.578 0.00 0.00 +0.162 A ATOM 34 N LIG 1 4.714 0.831 1.200 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 6.417 1.537 2.936 0.00 0.00 +0.436 C ATOM 36 F LIG 1 5.834 0.837 3.945 0.00 0.00 -0.164 F ATOM 37 F LIG 1 6.074 2.841 3.106 0.00 0.00 -0.164 F ATOM 38 F LIG 1 7.761 1.464 3.145 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7