REMARK Name = BDB021244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.667 -0.064 0.826 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -0.004 -0.890 1.776 0.00 0.00 +0.151 A ATOM 3 N LIG 1 1.341 -0.648 1.977 0.00 0.00 -0.270 N ATOM 4 C LIG 1 1.763 -1.507 2.964 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.656 -2.259 3.284 0.00 0.00 +0.159 A ATOM 6 C LIG 1 2.047 0.345 1.272 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.421 1.117 0.425 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.434 -1.877 2.541 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.073 0.895 0.230 0.00 0.00 +0.126 A ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -1.632 -1.174 -1.799 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -2.567 -0.669 -0.736 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -3.948 -0.679 -0.983 0.00 0.00 +0.131 A ATOM 13 F LIG 1 -4.394 -1.154 -2.157 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -4.877 -0.228 -0.037 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.404 0.248 1.190 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -3.032 0.284 1.451 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -2.104 -0.159 0.494 0.00 0.00 -0.007 A BRANCH 14 18 ATOM 18 C LIG 1 -6.355 -0.253 -0.344 0.00 0.00 +0.121 C BRANCH 18 19 ATOM 19 N LIG 1 -6.802 0.870 -1.188 0.00 0.00 -0.304 NA ATOM 20 C LIG 1 -6.782 2.143 -0.467 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -8.150 0.606 -1.694 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 1 17 BRANCH 5 22 ATOM 22 C LIG 1 0.572 -3.303 4.259 0.00 0.00 +0.121 C ATOM 23 N LIG 1 0.544 -4.147 5.057 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 3.397 0.532 1.469 0.00 0.00 -0.310 N ATOM 25 H LIG 1 3.668 1.397 1.004 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.340 -0.534 1.140 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 5.522 0.011 0.391 0.00 0.00 +0.012 A ATOM 28 C LIG 1 5.432 0.454 -0.926 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.258 0.557 -1.828 0.00 0.00 +0.080 C ATOM 30 C LIG 1 4.982 0.817 -3.149 0.00 0.00 +0.234 C ATOM 31 O LIG 1 6.285 1.376 -2.868 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 6.542 0.970 -1.584 0.00 0.00 +0.124 A ATOM 33 C LIG 1 7.777 1.075 -0.977 0.00 0.00 +0.049 A ATOM 34 C LIG 1 7.893 0.629 0.339 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.778 0.104 1.006 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.929 -0.313 2.271 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 7