REMARK Name = BDB065145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.779 -2.816 0.791 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -3.167 -1.914 -0.290 0.00 0.00 -0.005 C ATOM 3 C LIG 1 -2.109 -0.874 0.240 0.00 0.00 -0.025 C ATOM 4 C LIG 1 -0.996 -1.583 1.048 0.00 0.00 +0.012 C ATOM 5 C LIG 1 -1.524 -0.098 -1.010 0.00 0.00 +0.014 C ATOM 6 C LIG 1 -0.939 -1.008 -2.148 0.00 0.00 +0.092 C ATOM 7 C LIG 1 -0.623 -0.084 -3.337 0.00 0.00 +0.145 C ATOM 8 C LIG 1 0.246 1.124 -3.065 0.00 0.00 +0.075 C ATOM 9 C LIG 1 -0.324 1.946 -1.925 0.00 0.00 +0.008 C ATOM 10 O LIG 1 -0.992 -0.345 -4.484 0.00 0.00 -0.297 OA ATOM 11 C LIG 1 -2.067 -1.980 -2.592 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -0.622 1.112 -0.679 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -2.627 -2.797 -1.426 0.00 0.00 +0.036 C ENDROOT BRANCH 11 14 ATOM 14 O LIG 1 -1.607 -2.901 -3.579 0.00 0.00 -0.391 OA ATOM 15 H LIG 1 -1.426 -2.371 -4.385 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 3 16 ATOM 16 C LIG 1 -2.780 0.114 1.267 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 -3.940 0.976 0.746 0.00 0.00 +0.035 C BRANCH 17 18 ATOM 18 C LIG 1 -4.481 1.881 1.806 0.00 0.00 -0.026 C ATOM 19 C LIG 1 -3.736 3.059 2.302 0.00 0.00 +0.264 C ATOM 20 O LIG 1 -4.609 3.647 3.266 0.00 0.00 -0.457 OA ATOM 21 C LIG 1 -5.749 2.909 3.348 0.00 0.00 +0.332 C ATOM 22 O LIG 1 -6.693 3.131 4.081 0.00 0.00 -0.246 OA ATOM 23 C LIG 1 -5.666 1.792 2.409 0.00 0.00 +0.094 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 6 24 ATOM 24 C LIG 1 0.368 -1.814 -1.911 0.00 0.00 +0.249 C BRANCH 24 25 ATOM 25 O LIG 1 1.335 -1.108 -1.118 0.00 0.00 -0.460 OA BRANCH 25 26 ATOM 26 C LIG 1 2.577 -1.666 -1.132 0.00 0.00 +0.339 C ATOM 27 O LIG 1 2.908 -2.662 -1.754 0.00 0.00 -0.245 OA BRANCH 26 28 ATOM 28 C LIG 1 3.526 -0.861 -0.326 0.00 0.00 +0.059 A ATOM 29 C LIG 1 3.115 -0.053 0.732 0.00 0.00 +0.017 A ATOM 30 C LIG 1 4.057 0.689 1.461 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.436 0.644 1.179 0.00 0.00 +0.029 A ATOM 32 C LIG 1 5.815 -0.182 0.105 0.00 0.00 +0.024 A ATOM 33 C LIG 1 4.884 -0.931 -0.631 0.00 0.00 +0.017 A BRANCH 31 34 ATOM 34 N LIG 1 6.361 1.409 1.897 0.00 0.00 -0.336 N ATOM 35 C LIG 1 5.995 1.882 3.233 0.00 0.00 +0.129 C ATOM 36 C LIG 1 7.792 1.194 1.681 0.00 0.00 +0.129 C ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 9