REMARK Name = BDB053964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.119 0.737 -0.337 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.852 -0.233 -0.034 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -2.118 -0.182 -0.659 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.346 0.836 -1.587 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.623 0.673 -2.071 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.051 1.268 -2.766 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.237 -0.403 -1.482 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.525 -0.929 -1.667 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.627 -0.500 -2.597 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.838 -1.205 -1.969 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.308 -2.479 -1.293 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.921 -2.057 -0.933 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.037 -2.627 -0.057 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.164 -3.792 0.815 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.142 -4.504 0.915 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -3.982 -3.901 1.475 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -3.782 -4.617 2.155 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.097 -2.925 1.129 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.980 -2.775 1.579 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.763 -2.096 0.127 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.388 1.802 -1.915 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.316 -0.967 -0.581 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.148 1.737 -1.272 0.00 0.00 +0.013 A ENDROOT BRANCH 1 25 ATOM 24 O LIG 1 1.879 -0.453 0.679 0.00 0.00 -0.292 OA ATOM 25 C LIG 1 1.439 0.646 0.347 0.00 0.00 +0.164 C BRANCH 25 26 ATOM 26 C LIG 1 2.221 1.912 0.618 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 3.424 2.001 -0.310 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 4.650 2.476 0.436 0.00 0.00 +0.217 C ATOM 29 N LIG 1 5.375 1.545 1.138 0.00 0.00 -0.288 N ATOM 30 C LIG 1 6.554 1.945 1.908 0.00 0.00 +0.184 C ATOM 31 C LIG 1 6.782 0.768 2.857 0.00 0.00 +0.035 C ATOM 32 C LIG 1 6.283 -0.427 2.051 0.00 0.00 +0.021 C ATOM 33 C LIG 1 5.071 0.133 1.321 0.00 0.00 +0.109 C ATOM 34 O LIG 1 4.958 3.669 0.424 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 35 C LIG 1 7.807 2.179 1.055 0.00 0.00 +0.325 C ATOM 36 O LIG 1 8.880 2.592 1.473 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 7.690 1.827 -0.242 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 8.556 2.066 -0.631 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 6