REMARK Name = BDB007348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.677 -0.681 0.657 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -1.476 0.618 0.317 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -1.260 1.684 1.379 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -2.488 2.023 1.950 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.617 2.974 2.939 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -1.450 3.602 3.369 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.201 3.272 2.815 0.00 0.00 +0.020 A ATOM 8 CL LIG 1 -1.537 4.801 4.602 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -3.501 1.275 1.373 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -4.486 1.347 1.586 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -0.098 2.303 1.811 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -3.015 0.425 0.389 0.00 0.00 +0.230 C ATOM 13 O LIG 1 -3.696 -0.337 -0.280 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -1.066 0.985 -1.140 0.00 0.00 +0.069 C ATOM 15 C LIG 1 0.202 0.143 -1.355 0.00 0.00 +0.150 C ATOM 16 N LIG 1 -0.074 -1.126 -0.619 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -0.795 -1.635 -1.150 0.00 0.00 +0.123 HD ENDROOT BRANCH 14 18 ATOM 18 C LIG 1 -0.970 2.469 -1.476 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -2.158 3.212 -1.602 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -3.335 2.591 -1.432 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -2.143 4.575 -1.896 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 -3.613 5.463 -2.021 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -0.931 5.230 -2.089 0.00 0.00 +0.023 A ATOM 24 C LIG 1 0.260 4.514 -1.983 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.242 3.147 -1.679 0.00 0.00 +0.007 A ENDBRANCH 14 18 BRANCH 15 26 ATOM 26 C LIG 1 0.468 -0.219 -2.823 0.00 0.00 +0.231 C ATOM 27 N LIG 1 1.735 -0.538 -3.218 0.00 0.00 -0.311 N ATOM 28 H LIG 1 1.774 -0.818 -4.193 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -0.436 -0.314 -3.653 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 3.002 -0.421 -2.506 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 C LIG 1 3.358 -1.591 -1.551 0.00 0.00 +0.076 C ATOM 32 C LIG 1 2.981 -2.963 -2.111 0.00 0.00 +0.042 C ATOM 33 C LIG 1 4.861 -1.549 -1.254 0.00 0.00 +0.042 C BRANCH 31 34 ATOM 34 O LIG 1 2.706 -1.407 -0.292 0.00 0.00 -0.388 OA ATOM 35 H LIG 1 1.746 -1.580 -0.422 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 15 26 BRANCH 1 36 ATOM 36 C LIG 1 -1.473 -1.800 1.369 0.00 0.00 +0.026 C BRANCH 36 38 ATOM 37 C LIG 1 0.431 -2.582 2.892 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -0.693 -3.023 1.940 0.00 0.00 -0.036 C ATOM 39 C LIG 1 -1.699 -3.877 2.744 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -0.105 -3.914 0.834 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 7