REMARK Name = BDB035186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.162 -0.127 0.154 0.00 0.00 +0.111 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.747 1.260 0.218 0.00 0.00 +0.137 A ATOM 3 N LIG 1 -2.129 1.290 0.393 0.00 0.00 -0.198 N ATOM 4 C LIG 1 -2.846 2.454 0.471 0.00 0.00 +0.160 A ATOM 5 N LIG 1 -4.117 2.172 0.628 0.00 0.00 -0.206 NA ATOM 6 C LIG 1 -4.139 0.792 0.653 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -2.104 3.649 0.369 0.00 0.00 +0.068 A ATOM 8 C LIG 1 -0.773 3.552 0.201 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -2.935 0.212 0.490 0.00 0.00 -0.143 NA ATOM 10 N LIG 1 -0.062 2.369 0.117 0.00 0.00 -0.240 NA BRANCH 6 11 ATOM 11 C LIG 1 -5.369 0.048 0.805 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.832 -0.824 -0.178 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.989 -1.518 -0.007 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.668 -1.320 1.129 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.313 -0.504 2.124 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -6.160 0.171 1.937 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -5.087 -1.054 -1.483 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -5.853 -1.186 -2.781 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.030 0.040 -2.526 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.714 0.998 2.953 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -6.638 1.139 4.027 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 26 ATOM 22 C LIG 1 4.156 -0.166 -0.301 0.00 0.00 +0.088 A ATOM 23 C LIG 1 3.566 -0.188 0.962 0.00 0.00 +0.137 A ATOM 24 F LIG 1 4.324 -0.243 2.068 0.00 0.00 -0.205 F ATOM 25 C LIG 1 2.177 -0.185 1.117 0.00 0.00 +0.043 A ATOM 26 C LIG 1 1.340 -0.160 -0.006 0.00 0.00 -0.035 A ATOM 27 C LIG 1 1.925 -0.128 -1.278 0.00 0.00 +0.043 A ATOM 28 C LIG 1 3.315 -0.131 -1.414 0.00 0.00 +0.137 A ATOM 29 F LIG 1 3.831 -0.115 -2.653 0.00 0.00 -0.205 F BRANCH 22 31 ATOM 30 N LIG 1 6.375 -1.167 -0.964 0.00 0.00 -0.330 N ATOM 31 C LIG 1 5.606 -0.146 -0.445 0.00 0.00 +0.147 A ATOM 32 N LIG 1 6.383 0.856 -0.074 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 7.689 0.493 -0.371 0.00 0.00 +0.162 A ATOM 34 C LIG 1 7.686 -0.772 -0.931 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 8.857 1.394 -0.096 0.00 0.00 +0.436 C ATOM 36 F LIG 1 8.883 1.843 1.187 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.045 0.758 -0.303 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.865 2.489 -0.902 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 5.736 -3.462 -0.318 0.00 0.00 +0.027 C ATOM 40 C LIG 1 5.922 -2.459 -1.444 0.00 0.00 +0.120 C ENDBRANCH 30 40 ENDBRANCH 22 31 ENDBRANCH 1 26 TORSDOF 8