REMARK Name = BDB037305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.538 -2.463 -0.649 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.333 -1.312 -0.697 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.026 -0.158 -1.387 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.279 0.498 -1.553 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -3.241 -0.133 -0.862 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.321 0.073 -1.965 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.350 -0.978 -1.476 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.578 -1.065 -0.124 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.758 -2.376 -1.180 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.478 -3.371 -1.329 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.728 1.525 -1.749 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.501 2.218 -0.544 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.921 3.540 -0.382 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.577 4.182 -1.423 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.980 5.450 -1.268 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.822 3.525 -2.622 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.404 2.201 -2.783 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.133 -1.516 1.105 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.315 -2.042 2.116 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.876 -2.452 3.328 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.245 -2.313 3.549 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.058 -1.757 2.561 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.504 -1.350 1.345 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.308 -0.609 -0.425 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.274 -0.847 -0.609 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 1.958 -0.337 0.877 0.00 0.00 +0.245 C ATOM 27 O LIG 1 0.813 -0.395 1.306 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.075 0.031 1.792 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.252 0.630 1.317 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.288 0.971 2.202 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.115 0.732 3.573 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.937 0.157 4.052 0.00 0.00 +0.001 A ATOM 33 C LIG 1 2.920 -0.191 3.165 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.555 1.612 1.690 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.672 1.150 2.317 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.560 2.964 1.851 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.758 1.391 0.362 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.528 -4.484 -1.693 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.067 -3.808 -0.405 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.612 1.706 -2.398 0.00 0.00 +0.128 C ATOM 41 C LIG 1 -3.787 1.480 -3.348 0.00 0.00 +0.035 C BRANCH 40 42 ATOM 42 N LIG 1 -2.845 2.894 -1.526 0.00 0.00 -0.274 N ATOM 43 H LIG 1 -1.961 3.257 -1.159 0.00 0.00 +0.158 HD BRANCH 42 44 ATOM 44 C LIG 1 -3.934 3.060 -0.764 0.00 0.00 +0.167 C ATOM 45 N LIG 1 -4.863 3.249 -0.100 0.00 0.00 -0.174 NA ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 4 40 TORSDOF 9