REMARK Name = BDB059774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.024 3.628 -0.068 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -0.447 2.768 -1.050 0.00 0.00 -0.292 N ATOM 3 C LIG 1 0.486 2.007 -1.731 0.00 0.00 +0.258 A ATOM 4 O LIG 1 0.258 1.418 -2.787 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 1.836 1.918 -1.124 0.00 0.00 +0.047 A ATOM 6 C LIG 1 2.106 2.767 -0.120 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.419 2.789 0.620 0.00 0.00 +0.066 C ATOM 8 N LIG 1 1.198 3.672 0.361 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.980 4.642 0.539 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 -1.104 5.874 -0.357 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -2.159 8.148 -0.620 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -2.018 6.926 0.271 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -1.837 2.620 -1.482 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 -2.458 1.356 -0.918 0.00 0.00 -0.028 A ATOM 15 C LIG 1 -2.421 0.162 -1.650 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -2.920 -1.025 -1.109 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.470 -1.052 0.178 0.00 0.00 -0.017 A ATOM 18 C LIG 1 -3.526 0.148 0.900 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.022 1.336 0.363 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 -3.971 -2.308 0.749 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -3.325 -2.984 1.800 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -3.818 -4.197 2.301 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -4.972 -4.754 1.754 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.629 -4.102 0.714 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.134 -2.893 0.217 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 -2.105 -2.460 2.410 0.00 0.00 +0.183 A ATOM 27 N LIG 1 -0.921 -2.985 2.075 0.00 0.00 -0.271 N ATOM 28 H LIG 1 -0.713 -3.697 1.397 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -0.005 -2.339 2.811 0.00 0.00 +0.440 A ATOM 30 O LIG 1 1.197 -2.560 2.815 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -0.647 -1.404 3.591 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -2.043 -1.528 3.300 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 2.756 0.886 -1.717 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 2.625 -0.472 -1.128 0.00 0.00 +0.232 A ATOM 35 O LIG 1 1.482 -1.167 -1.399 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 1.591 -2.390 -0.730 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 2.796 -2.310 -0.143 0.00 0.00 +0.176 A ATOM 38 N LIG 1 3.464 -1.125 -0.356 0.00 0.00 -0.195 NA BRANCH 37 39 ATOM 39 C LIG 1 3.348 -3.395 0.707 0.00 0.00 +0.115 C BRANCH 39 40 ATOM 40 C LIG 1 4.336 -4.147 -0.154 0.00 0.00 -0.037 A ATOM 41 C LIG 1 3.932 -5.277 -0.884 0.00 0.00 +0.042 A ATOM 42 C LIG 1 4.853 -5.964 -1.672 0.00 0.00 +0.124 A ATOM 43 F LIG 1 4.453 -7.041 -2.364 0.00 0.00 -0.205 F ATOM 44 C LIG 1 6.178 -5.550 -1.753 0.00 0.00 +0.038 A ATOM 45 C LIG 1 6.592 -4.425 -1.038 0.00 0.00 +0.003 A ATOM 46 C LIG 1 5.676 -3.727 -0.243 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11