REMARK Name = BDB051915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.571 -0.663 -0.778 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.668 0.067 -0.304 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.996 -0.311 -0.594 0.00 0.00 -0.015 A ATOM 4 C LIG 1 3.201 -1.464 -1.364 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.114 -2.219 -1.809 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.802 -1.818 -1.530 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 4.135 0.488 -0.105 0.00 0.00 -0.017 A ATOM 8 C LIG 1 5.216 -0.117 0.560 0.00 0.00 +0.021 A ATOM 9 C LIG 1 6.309 0.636 1.027 0.00 0.00 +0.055 A ATOM 10 C LIG 1 6.309 2.023 0.836 0.00 0.00 +0.012 A ATOM 11 C LIG 1 5.247 2.642 0.179 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.173 1.881 -0.286 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 7.441 -0.039 1.761 0.00 0.00 +0.417 C ATOM 14 F LIG 1 7.676 -1.309 1.327 0.00 0.00 -0.166 F ATOM 15 F LIG 1 8.628 0.619 1.641 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.203 -0.141 3.098 0.00 0.00 -0.166 F ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 -1.252 0.835 0.072 0.00 0.00 +0.250 C ATOM 18 N LIG 1 -0.774 -0.311 -0.538 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -1.480 -0.911 -0.945 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -0.575 1.781 0.455 0.00 0.00 -0.270 OA BRANCH 17 29 ATOM 21 C LIG 1 -7.216 2.402 0.222 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -5.784 2.766 0.024 0.00 0.00 +0.229 C ATOM 23 N LIG 1 -4.813 1.744 0.148 0.00 0.00 -0.287 N ATOM 24 C LIG 1 -4.942 0.367 0.399 0.00 0.00 +0.057 A ATOM 25 C LIG 1 -3.644 -0.179 0.450 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -3.488 -1.552 0.761 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -4.603 -2.363 0.965 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -5.875 -1.827 0.873 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -2.712 0.867 0.174 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -6.063 -0.468 0.596 0.00 0.00 +0.027 A ATOM 31 C LIG 1 -3.458 2.014 0.028 0.00 0.00 +0.108 A ATOM 32 O LIG 1 -5.417 3.907 -0.242 0.00 0.00 -0.273 OA ENDBRANCH 17 29 ENDBRANCH 1 18 BRANCH 5 33 ATOM 33 C LIG 1 2.376 -3.429 -2.614 0.00 0.00 +0.337 C ATOM 34 O LIG 1 3.172 -3.462 -3.534 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 1.663 -4.494 -2.192 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 1.216 -4.371 -1.334 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 6