REMARK Name = BDB035188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.922 -0.456 0.705 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.755 -0.445 0.037 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 -1.861 -0.128 1.004 0.00 0.00 -0.213 N ATOM 4 C LIG 1 -2.532 0.051 2.185 0.00 0.00 +0.175 A ATOM 5 C LIG 1 -1.793 0.398 3.356 0.00 0.00 +0.159 A ATOM 6 N LIG 1 -0.498 0.550 3.321 0.00 0.00 -0.258 NA ATOM 7 C LIG 1 0.144 0.362 2.107 0.00 0.00 +0.134 A ATOM 8 C LIG 1 -0.474 0.031 0.951 0.00 0.00 +0.067 A ATOM 9 N LIG 1 -3.820 -0.135 2.040 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.998 -1.789 0.516 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.194 -0.746 0.082 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.687 0.008 -0.982 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.883 -0.292 -1.556 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.571 -1.325 -1.052 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.189 -2.099 -0.034 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.934 1.195 -1.560 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.684 2.439 -1.981 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.814 2.475 -0.763 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.457 -3.571 1.982 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.529 -2.584 1.548 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.175 -0.185 -0.393 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 1.679 -0.035 -0.444 0.00 0.00 -0.039 A ATOM 23 C LIG 1 2.514 -1.132 -0.196 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.901 -0.982 -0.222 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.654 -2.060 0.046 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.496 0.251 -0.502 0.00 0.00 +0.053 A ATOM 27 C LIG 1 3.656 1.351 -0.727 0.00 0.00 +0.014 A ATOM 28 C LIG 1 2.264 1.212 -0.703 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 5.947 0.450 -0.519 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.884 -0.359 -1.129 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.649 -1.527 -1.945 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.126 0.174 -0.900 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.915 1.335 -0.181 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.552 1.495 0.022 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 8.925 2.323 0.325 0.00 0.00 +0.436 C ATOM 36 F LIG 1 10.193 1.984 -0.042 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.930 2.412 1.681 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.710 3.576 -0.156 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7