REMARK Name = BDB065106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.460 1.982 -0.989 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.487 1.961 -0.034 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -3.154 1.930 1.321 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.837 1.921 1.758 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -0.785 1.922 0.815 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.557 1.886 1.304 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.749 1.950 2.684 0.00 0.00 +0.062 A ATOM 8 C LIG 1 -0.355 1.954 3.521 0.00 0.00 +0.142 A ATOM 9 N LIG 1 -1.629 1.922 3.080 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -1.129 1.968 -0.561 0.00 0.00 +0.061 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.849 2.034 -3.303 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.857 2.019 -2.302 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 -0.186 1.990 4.947 0.00 0.00 +0.119 C ATOM 14 N LIG 1 0.003 2.016 6.094 0.00 0.00 -0.189 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 1.634 1.904 0.402 0.00 0.00 -0.340 N ATOM 16 H LIG 1 1.421 1.383 -0.447 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 3.041 1.748 0.803 0.00 0.00 +0.073 C ATOM 18 C LIG 1 3.335 0.279 1.142 0.00 0.00 +0.041 C ATOM 19 C LIG 1 4.797 -0.074 0.905 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.193 0.175 -0.477 0.00 0.00 -0.267 N ATOM 21 C LIG 1 6.250 -0.484 -1.084 0.00 0.00 +0.403 C ATOM 22 O LIG 1 6.566 -0.317 -2.254 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.448 1.172 -1.234 0.00 0.00 +0.113 C ATOM 24 C LIG 1 3.935 2.285 -0.331 0.00 0.00 +0.041 C BRANCH 21 25 ATOM 25 O LIG 1 6.887 -1.320 -0.225 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 8.023 -2.113 -0.655 0.00 0.00 +0.107 C ATOM 27 C LIG 1 9.198 -1.224 -1.075 0.00 0.00 +0.055 C ATOM 28 C LIG 1 7.628 -3.102 -1.758 0.00 0.00 +0.055 C ATOM 29 C LIG 1 8.433 -2.911 0.593 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 30 ATOM 30 O LIG 1 -4.764 1.971 -0.530 0.00 0.00 -0.488 OA BRANCH 30 31 ATOM 31 C LIG 1 -5.873 2.050 0.362 0.00 0.00 +0.230 C BRANCH 31 32 ATOM 32 C LIG 1 -6.324 0.672 0.849 0.00 0.00 +0.056 C BRANCH 32 33 ATOM 33 C LIG 1 -6.672 -0.259 -0.320 0.00 0.00 +0.087 C BRANCH 33 34 ATOM 34 N LIG 1 -7.122 -1.577 0.142 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -7.275 -2.516 -0.972 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -8.049 -3.662 -0.342 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.873 -3.015 0.765 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.431 -1.558 0.797 0.00 0.00 +0.084 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11