REMARK Name = BDB037880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.653 -0.964 0.059 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.876 -1.819 0.754 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.539 -1.765 0.542 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.133 -0.890 -0.326 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.683 0.022 -1.011 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.084 -0.035 -0.811 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.893 -1.295 0.857 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.940 -1.604 1.830 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.330 -2.011 3.047 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.573 -1.499 1.571 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.102 -1.070 0.318 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.075 -0.771 -0.649 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.712 -0.380 -1.881 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.448 -0.876 -0.394 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.194 -1.157 0.256 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.200 -1.435 1.233 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.517 -1.003 -0.403 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.277 -0.273 0.636 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.630 -1.004 0.905 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.375 -1.157 -0.454 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.516 -1.806 -1.547 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.182 -1.077 -1.706 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.369 -2.381 1.407 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.965 -2.340 2.346 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.629 -2.781 0.821 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.517 -0.205 1.913 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -3.825 0.107 3.246 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -3.312 -1.010 3.814 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.757 0.592 4.114 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.947 1.035 1.315 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.595 1.432 1.929 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.175 1.117 -1.921 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.532 2.170 -1.214 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.652 2.816 -1.667 0.00 0.00 +0.164 A ATOM 35 C LIG 1 -1.951 3.741 -0.678 0.00 0.00 +0.126 A ATOM 36 C LIG 1 -3.078 4.527 -0.893 0.00 0.00 +0.144 A ATOM 37 N LIG 1 -3.803 4.359 -2.028 0.00 0.00 -0.241 NA ATOM 38 C LIG 1 -3.390 3.420 -2.907 0.00 0.00 +0.223 A ATOM 39 N LIG 1 -1.034 3.684 0.344 0.00 0.00 -0.233 NA ATOM 40 N LIG 1 -2.324 2.599 -2.811 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -0.180 2.749 -0.022 0.00 0.00 +0.201 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9