REMARK Name = BDB035840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.337 1.099 -0.746 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.750 1.649 -1.435 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.890 2.721 -1.992 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.826 0.652 -1.403 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.096 0.736 -1.944 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.964 -0.352 -1.764 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.509 -1.491 -1.058 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.208 -1.563 -0.520 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.379 -0.462 -0.706 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.029 -0.238 -0.257 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.889 1.613 0.442 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.628 1.037 0.154 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.587 1.732 -0.494 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.827 3.056 -0.867 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.051 3.666 -0.595 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.059 2.954 0.050 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.732 -0.135 3.009 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.802 -0.563 1.850 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.083 0.814 1.161 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.456 1.326 2.597 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.342 0.723 0.188 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.380 0.234 -1.090 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.300 -0.311 -1.865 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.670 0.366 -1.504 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.387 0.897 -0.542 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.551 1.125 0.524 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -5.649 -1.801 4.768 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.288 -0.497 4.334 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.730 -2.773 0.238 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.577 -3.279 -0.281 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.620 -3.800 0.254 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.454 -2.486 1.539 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.370 -0.308 -2.325 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.216 0.718 -1.716 0.00 0.00 -0.311 NA ATOM 35 H LIG 1 5.707 1.601 -1.712 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.647 0.418 -0.354 0.00 0.00 +0.090 C BRANCH 36 37 ATOM 37 C LIG 1 7.760 -0.604 -0.310 0.00 0.00 +0.011 C ATOM 38 C LIG 1 7.425 -2.061 -0.042 0.00 0.00 +0.011 C ATOM 39 C LIG 1 8.049 -1.233 1.043 0.00 0.00 +0.011 C BRANCH 37 40 ATOM 40 C LIG 1 8.942 -0.282 -1.196 0.00 0.00 +0.221 C ATOM 41 F LIG 1 9.962 -1.152 -0.947 0.00 0.00 -0.248 F ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 10