REMARK Name = BDB065385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.427 1.466 0.396 0.00 0.00 -0.251 N ATOM 2 N LIG 1 0.156 2.007 1.594 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -1.059 1.603 1.942 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -1.556 0.806 0.938 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.613 0.714 -0.063 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.869 0.184 0.977 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.358 -0.589 -0.083 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -4.627 -1.174 -0.016 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -5.436 -1.000 1.115 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.951 -0.227 2.176 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -3.682 0.357 2.106 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.814 -1.621 1.173 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N LIG 1 -7.784 -0.901 0.350 0.00 0.00 -0.292 N ATOM 14 C LIG 1 -8.095 -1.401 -0.923 0.00 0.00 +0.351 A ATOM 15 O LIG 1 -7.575 -2.431 -1.346 0.00 0.00 -0.244 OA ATOM 16 N LIG 1 -8.999 -0.708 -1.701 0.00 0.00 -0.175 NA ATOM 17 C LIG 1 -9.532 0.391 -1.256 0.00 0.00 +0.159 A ATOM 18 C LIG 1 -9.197 0.954 0.071 0.00 0.00 +0.179 A ATOM 19 F LIG 1 -9.770 2.111 0.441 0.00 0.00 -0.200 F ATOM 20 C LIG 1 -8.334 0.275 0.817 0.00 0.00 +0.132 A BRANCH 17 21 ATOM 21 N LIG 1 -10.424 1.029 -2.079 0.00 0.00 -0.341 N ATOM 22 H LIG 1 -10.367 0.717 -3.043 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 -10.504 2.034 -1.971 0.00 0.00 +0.144 HD ENDBRANCH 17 21 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 24 ATOM 24 C LIG 1 1.693 1.724 -0.253 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 2.887 1.065 0.440 0.00 0.00 +0.024 C BRANCH 25 26 ATOM 26 C LIG 1 2.843 -0.467 0.371 0.00 0.00 +0.006 C BRANCH 26 27 ATOM 27 C LIG 1 4.034 -1.131 1.073 0.00 0.00 +0.035 C BRANCH 27 31 ATOM 28 C LIG 1 7.814 -0.416 -0.903 0.00 0.00 +0.059 A ATOM 29 C LIG 1 6.870 -1.279 -1.472 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.650 -1.513 -0.831 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.355 -0.886 0.386 0.00 0.00 -0.047 A ATOM 32 C LIG 1 6.303 -0.024 0.954 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.524 0.211 0.315 0.00 0.00 +0.015 A BRANCH 28 34 ATOM 34 C LIG 1 9.097 -0.201 -1.628 0.00 0.00 +0.339 C ATOM 35 O LIG 1 9.361 -0.724 -2.700 0.00 0.00 -0.245 OA BRANCH 34 37 ATOM 36 C LIG 1 11.159 0.893 -1.572 0.00 0.00 +0.280 C ATOM 37 O LIG 1 9.905 0.641 -0.937 0.00 0.00 -0.464 OA ENDBRANCH 34 37 ENDBRANCH 28 34 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11