REMARK Name = BDB000260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.994 1.601 -1.022 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.679 2.620 -0.127 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.519 3.333 -0.263 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.428 3.037 -1.291 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -1.096 2.017 -2.190 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.100 1.307 -2.052 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.716 3.841 -1.416 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.068 3.052 -1.544 0.00 0.00 +0.075 C ATOM 9 C LIG 1 -4.550 3.044 -3.016 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -4.738 4.379 -3.598 0.00 0.00 -0.314 NA ATOM 11 H LIG 1 -5.720 4.650 -3.554 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -3.912 5.420 -2.994 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -2.559 4.894 -2.533 0.00 0.00 +0.025 C BRANCH 8 14 ATOM 14 N LIG 1 -4.020 1.706 -0.950 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 -3.396 1.699 -0.144 0.00 0.00 +0.123 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.327 1.199 -0.548 0.00 0.00 +0.116 C BRANCH 16 17 ATOM 17 C LIG 1 -5.191 -0.174 0.063 0.00 0.00 -0.032 A ATOM 18 C LIG 1 -5.019 -1.299 -0.763 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.874 -2.581 -0.250 0.00 0.00 +0.071 A ATOM 20 C LIG 1 -4.893 -2.742 1.152 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.746 -4.037 1.667 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -4.588 -5.112 0.801 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.584 -4.854 -0.556 0.00 0.00 +0.111 A ATOM 24 C LIG 1 -5.053 -1.627 1.991 0.00 0.00 +0.010 A ATOM 25 N LIG 1 -4.725 -3.621 -1.090 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 -5.198 -0.350 1.449 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 O LIG 1 2.117 0.823 -1.008 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 3.094 1.025 0.013 0.00 0.00 +0.231 C BRANCH 28 29 ATOM 29 C LIG 1 2.737 0.268 1.293 0.00 0.00 +0.069 C BRANCH 29 30 ATOM 30 C LIG 1 2.713 -1.246 1.084 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 O LIG 1 3.999 -1.744 0.720 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 4.827 -2.040 1.849 0.00 0.00 +0.198 C BRANCH 32 34 ATOM 33 C LIG 1 7.185 -2.753 2.413 0.00 0.00 +0.125 A ATOM 34 C LIG 1 6.213 -2.482 1.429 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.553 -2.641 0.075 0.00 0.00 +0.009 A ATOM 36 C LIG 1 7.830 -3.055 -0.298 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.786 -3.317 0.678 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.466 -3.167 2.029 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 7.725 -2.865 4.735 0.00 0.00 +0.277 C ATOM 40 O LIG 1 6.778 -2.581 3.713 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 12