REMARK Name = BDB051091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.130 -2.745 -0.939 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.528 -3.238 0.213 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.264 -3.683 0.195 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.233 -3.269 1.411 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.550 -2.803 1.456 0.00 0.00 +0.007 A ATOM 6 C LIG 1 4.170 -2.296 0.301 0.00 0.00 -0.041 A ATOM 7 C LIG 1 3.454 -2.293 -0.907 0.00 0.00 +0.020 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.499 1.451 0.394 0.00 0.00 +0.403 C ATOM 9 N LIG 1 -3.582 0.867 -0.463 0.00 0.00 -0.267 N ATOM 10 C LIG 1 -2.963 1.668 -1.511 0.00 0.00 +0.111 C ATOM 11 C LIG 1 -1.497 1.286 -1.687 0.00 0.00 +0.027 C ATOM 12 C LIG 1 -1.319 -0.201 -2.064 0.00 0.00 -0.009 C ATOM 13 C LIG 1 -0.015 -0.765 -1.466 0.00 0.00 +0.115 C ATOM 14 N LIG 1 0.395 -1.817 -2.389 0.00 0.00 -0.297 N ATOM 15 C LIG 1 1.405 -2.741 -2.216 0.00 0.00 +0.249 C ATOM 16 O LIG 1 1.760 -3.534 -3.084 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -0.323 -1.731 -3.647 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -1.051 -0.395 -3.574 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.540 -1.052 -1.625 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -3.176 -0.530 -0.340 0.00 0.00 +0.111 C ATOM 21 O LIG 1 -4.872 2.613 0.298 0.00 0.00 -0.226 OA BRANCH 8 22 ATOM 22 O LIG 1 -4.920 0.585 1.351 0.00 0.00 -0.445 OA BRANCH 22 24 ATOM 23 C LIG 1 -5.326 2.107 3.244 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -5.884 0.989 2.357 0.00 0.00 +0.107 C ATOM 25 C LIG 1 -7.226 1.372 1.724 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -6.090 -0.265 3.220 0.00 0.00 +0.055 C ENDBRANCH 22 24 ENDBRANCH 8 22 ENDBRANCH 1 15 BRANCH 6 27 ATOM 27 C LIG 1 5.601 -1.809 0.350 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 5.786 -0.423 -0.256 0.00 0.00 +0.074 A ATOM 29 C LIG 1 5.390 0.787 0.511 0.00 0.00 +0.011 A ATOM 30 C LIG 1 5.557 2.020 -0.117 0.00 0.00 +0.050 A ATOM 31 C LIG 1 5.202 3.208 0.534 0.00 0.00 +0.014 A ATOM 32 C LIG 1 4.678 3.160 1.825 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.511 1.931 2.460 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.113 2.064 -1.479 0.00 0.00 +0.272 A ATOM 35 O LIG 1 6.271 3.126 -2.070 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.440 0.854 -2.037 0.00 0.00 -0.242 N ATOM 37 H LIG 1 6.824 0.863 -2.977 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 4.866 0.745 1.808 0.00 0.00 +0.010 A ATOM 39 N LIG 1 6.281 -0.365 -1.458 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5