REMARK Name = BDB021211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.294 1.742 -2.612 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.754 1.156 -1.946 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.200 0.326 -1.081 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.178 0.387 -1.147 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.014 -0.388 -0.324 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.497 -1.244 0.514 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.121 -1.323 0.578 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.759 -0.587 -0.138 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -1.501 1.275 -2.147 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 2.211 -0.808 0.062 0.00 0.00 -0.013 A ATOM 11 C LIG 1 3.054 -0.998 -1.041 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.426 -1.203 -0.867 0.00 0.00 +0.005 A ATOM 13 C LIG 1 4.991 -1.210 0.415 0.00 0.00 -0.033 A ATOM 14 C LIG 1 4.153 -1.013 1.520 0.00 0.00 +0.005 A ATOM 15 C LIG 1 2.780 -0.809 1.345 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 6.476 -1.443 0.604 0.00 0.00 +0.120 C BRANCH 16 17 ATOM 17 N LIG 1 7.297 -0.484 -0.157 0.00 0.00 -0.287 NA ATOM 18 C LIG 1 8.733 -0.690 0.144 0.00 0.00 +0.161 C ATOM 19 C LIG 1 8.693 0.443 1.192 0.00 0.00 +0.274 C ATOM 20 F LIG 1 9.687 1.360 1.122 0.00 0.00 -0.203 F ATOM 21 F LIG 1 8.620 0.045 2.486 0.00 0.00 -0.203 F ATOM 22 C LIG 1 7.354 0.830 0.531 0.00 0.00 +0.161 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 24 ATOM 23 N LIG 1 0.056 3.481 -4.504 0.00 0.00 -0.189 NA ATOM 24 C LIG 1 -0.082 2.700 -3.655 0.00 0.00 +0.121 C ENDBRANCH 1 24 BRANCH 5 25 ATOM 25 N LIG 1 -3.383 -0.271 -0.412 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -3.789 -1.081 0.052 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.024 0.927 0.121 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.486 0.899 -0.208 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.422 0.234 0.579 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.260 -0.481 1.868 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.622 -1.171 1.944 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.564 -0.443 1.125 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.769 0.234 0.237 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.246 0.878 -0.886 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -7.324 1.535 -1.700 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.964 1.537 -1.360 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -5.106 2.184 -2.163 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 7