REMARK Name = BDB054757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.474 -0.398 -0.313 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.770 0.076 -0.494 0.00 0.00 +0.152 A ATOM 3 O LIG 1 -2.149 1.119 -1.317 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 -3.539 1.166 -1.302 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -4.096 0.341 -0.167 0.00 0.00 +0.117 C ATOM 6 C LIG 1 -4.490 1.212 1.028 0.00 0.00 +0.033 C ATOM 7 C LIG 1 -5.287 -0.440 -0.696 0.00 0.00 +0.169 C ATOM 8 O LIG 1 -5.514 -1.598 -0.320 0.00 0.00 -0.295 OA ATOM 9 C LIG 1 -6.253 0.271 -1.621 0.00 0.00 +0.192 C ATOM 10 C LIG 1 -5.695 1.485 -2.328 0.00 0.00 +0.177 C ATOM 11 O LIG 1 -6.402 2.225 -3.009 0.00 0.00 -0.291 OA ATOM 12 C LIG 1 -4.240 1.736 -2.284 0.00 0.00 +0.090 C ATOM 13 C LIG 1 -2.878 -0.477 0.163 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -2.701 -1.554 1.004 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -1.415 -2.048 1.223 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -0.295 -1.483 0.576 0.00 0.00 +0.139 A ENDROOT BRANCH 1 19 ATOM 17 N LIG 1 1.887 0.196 -0.500 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.015 -0.437 0.283 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 0.638 0.245 -1.074 0.00 0.00 +0.251 C ATOM 20 O LIG 1 0.434 0.784 -2.157 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.060 0.617 -1.226 0.00 0.00 +0.140 C BRANCH 21 23 ATOM 22 C LIG 1 4.803 1.636 0.331 0.00 0.00 -0.040 A ATOM 23 C LIG 1 4.302 0.494 -0.358 0.00 0.00 -0.019 A ATOM 24 C LIG 1 4.933 -0.789 -0.203 0.00 0.00 -0.010 A ATOM 25 C LIG 1 6.089 -0.890 0.607 0.00 0.00 +0.018 A ATOM 26 C LIG 1 6.737 -2.128 0.777 0.00 0.00 +0.011 A ATOM 27 C LIG 1 6.257 -3.282 0.164 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.121 -3.211 -0.627 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.578 0.254 1.240 0.00 0.00 +0.131 A ATOM 30 F LIG 1 7.676 0.180 2.011 0.00 0.00 -0.205 F ATOM 31 C LIG 1 4.471 -1.986 -0.806 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.954 1.490 1.113 0.00 0.00 +0.043 A BRANCH 22 34 ATOM 33 C LIG 1 4.586 4.108 1.121 0.00 0.00 +0.009 C ATOM 34 C LIG 1 4.109 2.983 0.206 0.00 0.00 +0.032 C ENDBRANCH 22 34 ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 9 35 ATOM 35 C LIG 1 -7.542 0.599 -0.910 0.00 0.00 +0.148 C ATOM 36 O LIG 1 -7.547 0.994 0.257 0.00 0.00 -0.296 OA ATOM 37 C LIG 1 -8.823 0.446 -1.687 0.00 0.00 +0.087 C ENDBRANCH 9 35 BRANCH 14 38 ATOM 38 O LIG 1 -3.735 -2.170 1.638 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 -4.535 -2.111 1.072 0.00 0.00 +0.292 HD ENDBRANCH 14 38 BRANCH 16 40 ATOM 40 O LIG 1 0.986 -1.950 0.746 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 1.189 -3.047 1.631 0.00 0.00 +0.277 C ENDBRANCH 16 40 TORSDOF 7