REMARK Name = BDB025633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.244 -0.722 -0.487 0.00 0.00 +0.026 A ATOM 2 C LIG 1 -2.313 0.558 -1.056 0.00 0.00 +0.133 A ATOM 3 F LIG 1 -3.497 1.061 -1.438 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.175 1.336 -1.261 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.084 0.843 -0.906 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.173 -0.448 -0.333 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.978 -1.216 -0.129 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 1.278 1.589 -1.075 0.00 0.00 -0.326 N ATOM 9 C LIG 1 1.389 2.721 -0.114 0.00 0.00 +0.120 C ATOM 10 C LIG 1 1.302 4.100 -0.807 0.00 0.00 +0.103 C ATOM 11 N LIG 1 2.257 4.313 -1.917 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 3.435 5.061 -1.488 0.00 0.00 +0.105 C ATOM 13 C LIG 1 2.653 3.035 -2.550 0.00 0.00 +0.103 C ATOM 14 C LIG 1 1.545 1.962 -2.487 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 15 C LIG 1 -5.678 -3.054 0.060 0.00 0.00 +0.321 A ATOM 16 N LIG 1 -5.624 -1.896 0.731 0.00 0.00 -0.159 NA ATOM 17 C LIG 1 -4.510 -1.157 0.545 0.00 0.00 +0.228 A ATOM 18 C LIG 1 -3.452 -1.525 -0.278 0.00 0.00 +0.065 A ATOM 19 C LIG 1 -3.637 -2.745 -0.903 0.00 0.00 +0.130 A ATOM 20 N LIG 1 -4.729 -3.523 -0.758 0.00 0.00 -0.203 NA BRANCH 15 22 ATOM 21 C LIG 1 -7.763 -3.351 1.069 0.00 0.00 +0.280 C ATOM 22 O LIG 1 -6.780 -3.871 0.185 0.00 0.00 -0.466 OA ENDBRANCH 15 22 BRANCH 17 23 ATOM 23 O LIG 1 -4.381 0.031 1.245 0.00 0.00 -0.479 OA ATOM 24 C LIG 1 -5.535 0.376 2.003 0.00 0.00 +0.279 C ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 6 25 ATOM 25 N LIG 1 1.475 -0.870 0.006 0.00 0.00 -0.280 N ATOM 26 H LIG 1 2.168 -0.152 -0.203 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 1.870 -2.078 0.520 0.00 0.00 +0.250 C ATOM 28 O LIG 1 1.172 -3.058 0.746 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 3.341 -2.147 0.749 0.00 0.00 +0.065 A ATOM 30 C LIG 1 4.046 -1.368 1.761 0.00 0.00 +0.073 A ATOM 31 C LIG 1 5.380 -1.516 1.892 0.00 0.00 +0.083 A ATOM 32 C LIG 1 6.129 -2.456 1.022 0.00 0.00 +0.249 A ATOM 33 O LIG 1 7.342 -2.581 1.121 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 5.373 -3.157 0.116 0.00 0.00 -0.328 N ATOM 35 H LIG 1 5.880 -3.816 -0.466 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 4.014 -3.019 -0.019 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 3.261 -0.455 2.651 0.00 0.00 +0.418 C ATOM 38 F LIG 1 4.012 0.041 3.670 0.00 0.00 -0.166 F ATOM 39 F LIG 1 2.797 0.622 1.967 0.00 0.00 -0.166 F ATOM 40 F LIG 1 2.195 -1.065 3.219 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 6 25 TORSDOF 7