REMARK Name = BDB034538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.592 -0.937 1.561 0.00 0.00 +0.032 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.821 -1.644 2.142 0.00 0.00 +0.081 C ATOM 3 N LIG 1 4.113 -1.381 1.440 0.00 0.00 -0.305 N ATOM 4 C LIG 1 5.174 -1.695 2.456 0.00 0.00 +0.182 C ATOM 5 C LIG 1 4.458 -1.877 3.794 0.00 0.00 +0.266 C ATOM 6 F LIG 1 4.320 -3.197 4.078 0.00 0.00 -0.204 F ATOM 7 F LIG 1 5.117 -1.309 4.822 0.00 0.00 -0.204 F ATOM 8 C LIG 1 3.096 -1.260 3.594 0.00 0.00 +0.099 C BRANCH 3 9 ATOM 9 C LIG 1 4.285 -0.161 0.792 0.00 0.00 +0.143 A ATOM 10 N LIG 1 4.356 0.943 1.486 0.00 0.00 -0.156 NA ATOM 11 N LIG 1 4.508 2.109 0.800 0.00 0.00 -0.241 N ATOM 12 H LIG 1 4.555 2.960 1.351 0.00 0.00 +0.192 HD ATOM 13 C LIG 1 4.574 2.243 -0.565 0.00 0.00 +0.277 A ATOM 14 O LIG 1 4.702 3.340 -1.095 0.00 0.00 -0.266 OA ATOM 15 C LIG 1 4.504 0.995 -1.333 0.00 0.00 +0.124 A ATOM 16 C LIG 1 4.389 -0.169 -0.684 0.00 0.00 +0.063 A BRANCH 15 17 ATOM 17 C LIG 1 4.563 1.149 -2.799 0.00 0.00 +0.423 C ATOM 18 F LIG 1 3.574 1.926 -3.307 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.465 -0.053 -3.438 0.00 0.00 -0.166 F ATOM 20 F LIG 1 5.745 1.679 -3.212 0.00 0.00 -0.166 F ENDBRANCH 15 17 ENDBRANCH 3 9 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 1.152 -1.544 0.226 0.00 0.00 +0.098 C BRANCH 21 23 ATOM 22 O LIG 1 1.438 0.020 -1.542 0.00 0.00 -0.276 OA ATOM 23 C LIG 1 0.652 -0.477 -0.732 0.00 0.00 +0.216 C ATOM 24 N LIG 1 -0.666 -0.075 -0.639 0.00 0.00 -0.298 N ATOM 25 C LIG 1 -1.165 0.946 -1.570 0.00 0.00 +0.126 C ATOM 26 C LIG 1 -2.581 0.645 -2.096 0.00 0.00 +0.127 C ATOM 27 N LIG 1 -3.516 0.344 -1.007 0.00 0.00 -0.297 N ATOM 28 C LIG 1 -2.982 0.127 0.333 0.00 0.00 +0.127 C ATOM 29 C LIG 1 -1.663 -0.664 0.264 0.00 0.00 +0.126 C BRANCH 27 30 ATOM 30 C LIG 1 -4.823 0.759 -1.135 0.00 0.00 +0.218 A ATOM 31 N LIG 1 -5.289 1.077 -2.354 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 -6.577 1.460 -2.463 0.00 0.00 +0.128 A ATOM 33 C LIG 1 -7.439 1.534 -1.399 0.00 0.00 +0.091 A ATOM 34 C LIG 1 -6.883 1.200 -0.191 0.00 0.00 +0.128 A ATOM 35 N LIG 1 -5.600 0.812 -0.039 0.00 0.00 -0.222 NA BRANCH 33 36 ATOM 36 C LIG 1 -8.845 1.980 -1.535 0.00 0.00 +0.420 C ATOM 37 F LIG 1 -8.985 3.320 -1.350 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.375 1.716 -2.761 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -9.680 1.390 -0.636 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7