REMARK Name = BDB010056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.299 -1.980 -1.106 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -1.370 -1.318 -0.316 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.109 -1.632 -0.783 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.351 -2.511 -1.824 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.604 -3.108 -2.553 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.837 -2.762 -2.137 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.171 -1.919 -1.139 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.200 -1.307 -0.434 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.682 -2.713 -2.016 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.566 -4.486 -0.481 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.837 -3.182 -0.604 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.447 -3.162 -0.786 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -3.753 -1.951 -0.932 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -4.477 -0.753 -0.939 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -5.863 -0.764 -0.772 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.539 -1.972 -0.606 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 2.957 -3.404 -2.911 0.00 0.00 +0.375 C ATOM 18 O LIG 1 4.149 -3.230 -2.725 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 2.468 -4.229 -3.881 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 1.482 -4.224 -3.863 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 1.519 -0.417 0.583 0.00 0.00 -0.324 N ATOM 22 H LIG 1 0.870 0.357 0.643 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.916 0.016 0.702 0.00 0.00 +0.072 C ATOM 24 C LIG 1 3.242 1.094 -0.337 0.00 0.00 +0.022 C ATOM 25 C LIG 1 4.703 1.547 -0.253 0.00 0.00 +0.005 C ATOM 26 C LIG 1 5.313 1.403 1.151 0.00 0.00 -0.014 C ATOM 27 C LIG 1 6.480 2.370 1.337 0.00 0.00 +0.007 C ATOM 28 C LIG 1 4.248 1.602 2.231 0.00 0.00 +0.005 C ATOM 29 C LIG 1 3.126 0.565 2.127 0.00 0.00 +0.022 C ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 30 ATOM 30 C LIG 1 -1.666 -0.572 0.901 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.515 0.931 0.773 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.484 1.612 -0.453 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.333 3.001 -0.496 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.212 3.746 0.684 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -1.265 3.073 1.911 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.416 1.685 1.954 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -1.072 5.249 0.636 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -0.366 5.752 1.687 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.277 5.880 0.656 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.435 5.689 -0.484 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8