REMARK Name = BDB035657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.774 0.399 0.995 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.347 1.020 1.557 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.466 2.062 2.175 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.502 0.158 1.274 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.826 0.346 1.625 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.760 -0.625 1.229 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.314 -1.760 0.511 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.960 -1.937 0.161 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.064 -0.949 0.559 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.411 -0.854 0.345 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.498 0.594 0.414 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.152 0.151 0.413 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.113 0.879 1.026 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.451 2.074 1.665 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.774 2.518 1.708 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.788 1.781 1.101 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.614 -0.265 -0.230 0.00 0.00 +0.246 C BRANCH 17 20 ATOM 18 C LIG 1 7.971 -1.379 -2.120 0.00 0.00 +0.151 C ATOM 19 N LIG 1 7.652 -0.008 -1.813 0.00 0.00 -0.318 N ATOM 20 C LIG 1 6.653 0.520 -1.019 0.00 0.00 +0.179 A ATOM 21 N LIG 1 6.724 1.838 -1.125 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 7.781 2.170 -1.927 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 8.331 1.055 -2.334 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.285 -1.108 0.901 0.00 0.00 +0.430 C ATOM 25 F LIG 1 5.374 -1.825 1.609 0.00 0.00 -0.167 F ATOM 26 F LIG 1 7.171 -2.011 0.407 0.00 0.00 -0.167 F ATOM 27 F LIG 1 6.968 -0.342 1.785 0.00 0.00 -0.167 F ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 4.983 -1.100 -1.236 0.00 0.00 -0.369 OA ATOM 29 H LIG 1 4.539 -0.478 -1.844 0.00 0.00 +0.212 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.491 -3.142 -0.609 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.597 -3.886 0.097 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.492 -3.990 -0.967 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.856 -2.798 -1.764 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.223 -0.471 1.592 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.852 0.709 1.000 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.192 1.483 0.960 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.580 0.453 -0.248 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.494 1.694 -0.486 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.642 0.709 -0.791 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.885 -0.337 0.053 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -5.726 0.048 -1.433 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9