REMARK Name = BDB000893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.616 -0.715 -0.404 0.00 0.00 +0.123 A ATOM 2 C LIG 1 -2.204 -0.046 0.753 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -0.881 -0.036 1.177 0.00 0.00 +0.079 A ATOM 4 C LIG 1 0.077 -0.714 0.412 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.401 -0.646 0.898 0.00 0.00 +0.135 A ATOM 6 N LIG 1 1.706 -0.008 2.043 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 0.703 0.595 2.684 0.00 0.00 +0.223 A ATOM 8 C LIG 1 -0.339 -1.408 -0.753 0.00 0.00 +0.017 A ATOM 9 N LIG 1 -0.577 0.620 2.300 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -1.676 -1.405 -1.157 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 2.442 -1.274 0.153 0.00 0.00 -0.284 N ATOM 12 H LIG 1 2.354 -1.013 -0.825 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 3.668 -1.580 0.648 0.00 0.00 +0.120 A ATOM 14 N LIG 1 4.738 -1.778 -0.182 0.00 0.00 -0.264 N ATOM 15 H LIG 1 4.755 -1.723 -1.193 0.00 0.00 +0.190 HD ATOM 16 N LIG 1 5.886 -2.074 0.458 0.00 0.00 -0.177 NA ATOM 17 C LIG 1 5.525 -2.100 1.752 0.00 0.00 +0.073 A ATOM 18 C LIG 1 4.154 -1.799 1.917 0.00 0.00 +0.068 A BRANCH 17 19 ATOM 19 C LIG 1 6.527 -2.420 2.811 0.00 0.00 +0.153 C BRANCH 19 20 ATOM 20 C LIG 1 7.519 -1.290 3.048 0.00 0.00 +0.223 C ATOM 21 N LIG 1 8.070 -0.781 1.884 0.00 0.00 -0.285 N ATOM 22 H LIG 1 7.666 -1.151 1.022 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 7.816 -0.955 4.193 0.00 0.00 -0.275 OA BRANCH 21 24 ATOM 24 C LIG 1 9.038 0.231 1.747 0.00 0.00 +0.036 A ATOM 25 C LIG 1 9.658 0.870 2.820 0.00 0.00 +0.061 A ATOM 26 C LIG 1 10.606 1.861 2.578 0.00 0.00 +0.125 A ATOM 27 F LIG 1 11.200 2.472 3.613 0.00 0.00 -0.205 F ATOM 28 C LIG 1 10.953 2.231 1.284 0.00 0.00 +0.038 A ATOM 29 C LIG 1 10.342 1.597 0.207 0.00 0.00 +0.005 A ATOM 30 C LIG 1 9.389 0.601 0.440 0.00 0.00 +0.023 A ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 31 ATOM 31 O LIG 1 -3.953 -0.621 -0.674 0.00 0.00 -0.492 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.426 -1.242 -1.868 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -5.926 -0.979 -2.002 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.229 0.522 -2.121 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -7.640 0.788 -2.468 0.00 0.00 -0.300 NA BRANCH 35 37 ATOM 36 C LIG 1 -7.526 3.309 -2.090 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -7.801 2.140 -3.033 0.00 0.00 +0.081 C ENDBRANCH 35 37 BRANCH 35 38 ATOM 38 C LIG 1 -8.543 0.513 -1.334 0.00 0.00 +0.112 C BRANCH 38 39 ATOM 39 C LIG 1 -10.040 0.684 -1.643 0.00 0.00 +0.171 C BRANCH 39 40 ATOM 40 O LIG 1 -10.831 0.193 -0.561 0.00 0.00 -0.394 OA ATOM 41 H LIG 1 -10.692 -0.769 -0.520 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 14