REMARK Name = BDB037882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.512 0.464 1.228 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.042 1.724 1.359 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.702 1.900 1.296 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.244 0.890 1.082 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.260 -0.407 0.931 0.00 0.00 -0.006 A ATOM 6 C LIG 1 1.651 -0.612 1.023 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.812 0.109 1.290 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.040 -0.617 0.376 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.635 -1.423 -0.520 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.649 -0.516 0.354 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.975 0.319 1.264 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.765 1.025 2.190 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.191 1.806 3.121 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.161 0.927 2.210 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.982 0.908 1.837 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.166 -0.077 1.213 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.632 1.143 1.010 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -1.982 2.045 -0.105 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.537 2.070 -0.332 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.284 1.995 1.025 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.399 2.446 2.188 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.192 1.516 2.330 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.897 3.361 -0.990 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.513 4.143 -0.457 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.429 3.384 -1.902 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -3.954 0.907 -1.289 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.469 0.807 -1.532 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.665 -0.134 -2.505 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.113 0.343 -0.433 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.273 1.068 -2.565 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.696 0.423 -3.171 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.625 -1.600 0.639 0.00 0.00 +0.143 C BRANCH 32 33 ATOM 33 N LIG 1 -0.251 -2.190 -0.647 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -0.932 -3.405 -0.943 0.00 0.00 +0.128 A ATOM 35 C LIG 1 -1.082 -3.576 -2.307 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -1.646 -4.738 -2.742 0.00 0.00 +0.119 A ATOM 37 N LIG 1 -2.072 -5.679 -1.881 0.00 0.00 -0.243 NA ATOM 38 C LIG 1 -1.907 -5.400 -0.571 0.00 0.00 +0.223 A ATOM 39 C LIG 1 -0.532 -2.412 -3.040 0.00 0.00 +0.059 C ATOM 40 N LIG 1 -1.353 -4.295 -0.047 0.00 0.00 -0.220 NA ATOM 41 C LIG 1 -0.434 -1.404 -1.879 0.00 0.00 +0.111 C ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9