REMARK Name = BDB019929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 0.050 1.096 0.00 0.00 +0.140 A ATOM 2 C LIG 1 -1.605 -0.564 0.936 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.712 0.223 0.578 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -2.583 1.603 0.346 0.00 0.00 -0.026 A ATOM 5 C LIG 1 -1.317 2.189 0.488 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -0.195 1.420 0.834 0.00 0.00 +0.079 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -1.785 -1.993 1.134 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.102 -3.122 0.582 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -1.597 -4.271 1.095 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -2.575 -3.877 1.925 0.00 0.00 -0.273 N ATOM 11 C LIG 1 -3.333 -4.872 2.646 0.00 0.00 +0.172 C ATOM 12 C LIG 1 -2.727 -2.527 1.989 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 0.018 -3.119 -0.428 0.00 0.00 +0.437 C ATOM 14 F LIG 1 0.047 -1.987 -1.183 0.00 0.00 -0.164 F ATOM 15 F LIG 1 1.242 -3.222 0.162 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -0.071 -4.153 -1.310 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 2 7 BRANCH 6 17 ATOM 17 C LIG 1 1.114 2.127 0.907 0.00 0.00 +0.248 C ATOM 18 N LIG 1 2.228 1.386 0.597 0.00 0.00 -0.305 N ATOM 19 H LIG 1 2.114 0.396 0.404 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 1.150 3.315 1.208 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 3.573 1.925 0.672 0.00 0.00 +0.100 C ATOM 22 C LIG 1 4.071 1.965 2.120 0.00 0.00 +0.033 C BRANCH 21 23 ATOM 23 C LIG 1 4.498 1.131 -0.234 0.00 0.00 -0.027 A ATOM 24 C LIG 1 5.005 1.725 -1.404 0.00 0.00 +0.011 A ATOM 25 C LIG 1 5.854 1.018 -2.267 0.00 0.00 -0.015 A ATOM 26 C LIG 1 6.369 1.644 -3.527 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.168 -0.306 -1.959 0.00 0.00 +0.126 A ATOM 28 F LIG 1 6.961 -1.013 -2.778 0.00 0.00 -0.205 F ATOM 29 C LIG 1 5.671 -0.919 -0.815 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.838 -0.204 0.046 0.00 0.00 +0.008 A ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 6 17 BRANCH 1 31 ATOM 31 O LIG 1 0.727 -0.715 1.481 0.00 0.00 -0.491 OA BRANCH 31 33 ATOM 32 C LIG 1 1.937 -1.711 3.283 0.00 0.00 +0.048 C ATOM 33 C LIG 1 0.857 -0.712 2.912 0.00 0.00 +0.226 C ENDBRANCH 31 33 ENDBRANCH 1 31 BRANCH 4 34 ATOM 34 C LIG 1 -3.777 2.467 -0.005 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -4.684 1.822 -0.932 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -4.425 1.591 -2.290 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -3.355 1.796 -2.969 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -2.627 2.167 -2.358 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -5.623 1.065 -2.779 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -5.789 0.623 -4.141 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -6.559 0.981 -1.762 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -5.995 1.453 -0.641 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9