REMARK Name = BDB001348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.612 -2.624 -2.869 0.00 0.00 +0.186 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -2.860 -0.782 -4.543 0.00 0.00 -0.270 OA ATOM 3 C LIG 1 -2.750 -0.496 -3.352 0.00 0.00 +0.248 C ATOM 4 N LIG 1 -1.984 -1.261 -2.500 0.00 0.00 -0.298 N ATOM 5 H LIG 1 -2.124 -1.113 -1.504 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 -3.471 0.692 -2.792 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -3.570 1.002 -1.426 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -4.354 2.089 -1.006 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -4.989 2.907 -1.940 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.866 2.631 -3.298 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.121 1.527 -3.720 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -2.978 0.177 -0.494 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -2.252 0.742 0.531 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -1.484 1.903 0.402 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -0.769 2.387 1.498 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -0.794 1.697 2.710 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -1.532 0.519 2.827 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.257 0.040 1.737 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 -2.706 -3.581 -2.381 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -3.334 -3.441 -1.340 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -2.912 -4.644 -3.197 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -2.445 -4.596 -4.054 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.234 -3.059 -2.353 0.00 0.00 +0.071 C BRANCH 23 24 ATOM 24 C LIG 1 0.102 -2.686 -0.937 0.00 0.00 -0.019 A ATOM 25 C LIG 1 -0.202 -3.401 0.257 0.00 0.00 +0.004 A ATOM 26 C LIG 1 0.352 -2.690 1.332 0.00 0.00 +0.059 A ATOM 27 C LIG 1 0.206 -3.150 2.657 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -0.500 -4.330 2.877 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -1.047 -5.054 1.833 0.00 0.00 +0.039 A ATOM 30 F LIG 1 -0.650 -4.776 4.131 0.00 0.00 -0.205 F ATOM 31 N LIG 1 1.009 -1.565 0.819 0.00 0.00 -0.287 N ATOM 32 C LIG 1 1.746 -0.611 1.564 0.00 0.00 +0.232 C ATOM 33 O LIG 1 1.869 -0.736 2.777 0.00 0.00 -0.272 OA ATOM 34 C LIG 1 -0.899 -4.602 0.519 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.823 -1.573 -0.555 0.00 0.00 +0.098 A BRANCH 32 36 ATOM 36 C LIG 1 2.369 0.500 0.746 0.00 0.00 +0.099 C BRANCH 36 37 ATOM 37 C LIG 1 3.086 1.522 1.635 0.00 0.00 +0.013 C BRANCH 37 38 ATOM 38 C LIG 1 3.564 2.758 0.853 0.00 0.00 -0.011 C ATOM 39 C LIG 1 4.717 2.477 -0.111 0.00 0.00 +0.003 C ATOM 40 C LIG 1 5.970 2.491 0.759 0.00 0.00 +0.000 C ATOM 41 C LIG 1 5.633 3.359 1.970 0.00 0.00 +0.000 C ATOM 42 C LIG 1 4.186 3.805 1.781 0.00 0.00 +0.003 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11