REMARK Name = BDB058590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.797 1.341 0.298 0.00 0.00 -0.302 NA ATOM 2 C LIG 1 -0.264 0.918 1.216 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -1.375 1.955 1.432 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -1.951 2.537 0.126 0.00 0.00 +0.021 C ATOM 5 C LIG 1 -0.800 2.913 -0.828 0.00 0.00 +0.023 C ATOM 6 C LIG 1 0.219 1.783 -0.979 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.037 1.727 -0.582 0.00 0.00 -0.043 A ATOM 8 C LIG 1 -3.785 2.356 -1.596 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -4.801 1.685 -2.296 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -5.088 0.358 -1.957 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -4.373 -0.294 -0.944 0.00 0.00 -0.033 A ATOM 12 C LIG 1 -3.358 0.400 -0.264 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 -5.598 2.395 -3.360 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -6.685 3.041 -2.853 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.877 3.346 -4.020 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.075 1.560 -4.326 0.00 0.00 -0.166 F ENDBRANCH 9 13 BRANCH 11 17 ATOM 17 C LIG 1 -4.696 -1.732 -0.589 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -6.072 -1.902 -0.115 0.00 0.00 -0.298 NA ATOM 19 C LIG 1 -6.413 -3.313 0.074 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -7.696 -3.247 0.888 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -7.619 -1.924 1.643 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -6.316 -1.280 1.188 0.00 0.00 +0.085 C ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 1.728 2.336 0.864 0.00 0.00 +0.089 C BRANCH 23 24 ATOM 24 C LIG 1 2.689 1.779 1.934 0.00 0.00 +0.053 C BRANCH 24 28 ATOM 25 N LIG 1 5.642 -0.141 0.809 0.00 0.00 -0.220 N ATOM 26 N LIG 1 4.665 -1.012 0.449 0.00 0.00 -0.173 NA ATOM 27 C LIG 1 3.524 -0.418 0.797 0.00 0.00 +0.138 A ATOM 28 C LIG 1 3.717 0.839 1.401 0.00 0.00 -0.008 A ATOM 29 C LIG 1 5.087 0.989 1.395 0.00 0.00 +0.120 A BRANCH 25 34 ATOM 30 O LIG 1 10.756 -2.908 -0.861 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 9.545 -2.780 -0.724 0.00 0.00 +0.259 A ATOM 32 C LIG 1 8.951 -1.581 -0.101 0.00 0.00 +0.070 A ATOM 33 C LIG 1 7.554 -1.518 0.018 0.00 0.00 +0.122 A ATOM 34 C LIG 1 7.050 -0.354 0.618 0.00 0.00 +0.180 A ATOM 35 N LIG 1 7.865 0.664 1.063 0.00 0.00 -0.234 NA ATOM 36 C LIG 1 9.197 0.538 0.918 0.00 0.00 +0.114 A ATOM 37 N LIG 1 6.755 -2.581 -0.450 0.00 0.00 -0.233 NA ATOM 38 C LIG 1 7.317 -3.604 -0.987 0.00 0.00 +0.200 A ATOM 39 C LIG 1 9.790 -0.560 0.344 0.00 0.00 +0.035 A ATOM 40 N LIG 1 8.662 -3.738 -1.138 0.00 0.00 -0.313 N ATOM 41 H LIG 1 9.056 -4.563 -1.567 0.00 0.00 +0.170 HD ENDBRANCH 25 34 ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8