REMARK Name = BDB034302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.698 -0.532 -0.161 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.261 0.863 -0.334 0.00 0.00 +0.120 C BRANCH 2 6 ATOM 3 C LIG 1 4.531 3.712 -0.276 0.00 0.00 +0.130 A ATOM 4 C LIG 1 3.444 3.870 0.584 0.00 0.00 +0.046 A ATOM 5 C LIG 1 2.390 2.948 0.566 0.00 0.00 +0.008 A ATOM 6 C LIG 1 2.409 1.853 -0.306 0.00 0.00 -0.033 A ATOM 7 C LIG 1 3.500 1.704 -1.172 0.00 0.00 +0.008 A ATOM 8 C LIG 1 4.550 2.624 -1.153 0.00 0.00 +0.046 A BRANCH 3 9 ATOM 9 O LIG 1 5.622 4.528 -0.366 0.00 0.00 -0.406 OA BRANCH 9 11 ATOM 10 F LIG 1 4.648 6.494 0.271 0.00 0.00 -0.133 F ATOM 11 C LIG 1 5.679 5.651 0.496 0.00 0.00 +0.575 C ATOM 12 F LIG 1 6.828 6.322 0.257 0.00 0.00 -0.133 F ATOM 13 F LIG 1 5.678 5.274 1.793 0.00 0.00 -0.133 F ENDBRANCH 9 11 ENDBRANCH 3 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 2.134 -0.790 1.223 0.00 0.00 +0.120 C BRANCH 14 15 ATOM 15 C LIG 1 2.794 -2.141 1.411 0.00 0.00 -0.033 A ATOM 16 C LIG 1 2.265 -3.081 2.307 0.00 0.00 +0.005 A ATOM 17 C LIG 1 2.885 -4.319 2.481 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.040 -4.630 1.764 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.577 -3.703 0.874 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.959 -2.464 0.699 0.00 0.00 +0.005 A ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 1 21 ATOM 21 C LIG 1 0.685 -1.482 -0.653 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 -0.655 -1.510 0.097 0.00 0.00 +0.017 C BRANCH 22 23 ATOM 23 C LIG 1 -1.618 -2.515 -0.548 0.00 0.00 +0.020 C BRANCH 23 24 ATOM 24 C LIG 1 -2.947 -2.623 0.204 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 N LIG 1 -3.669 -1.354 0.210 0.00 0.00 -0.343 N ATOM 26 H LIG 1 -4.127 -1.185 1.104 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.496 -0.941 -0.850 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -5.198 0.298 -0.757 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -6.010 0.688 -1.850 0.00 0.00 +0.074 A ATOM 30 C LIG 1 -6.721 1.877 -1.783 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -6.641 2.706 -0.668 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -5.838 2.358 0.407 0.00 0.00 +0.021 A ATOM 33 CL LIG 1 -7.536 4.176 -0.626 0.00 0.00 -0.083 Cl ATOM 34 N LIG 1 -6.124 -0.039 -2.968 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 -5.412 -1.177 -3.052 0.00 0.00 +0.113 A ATOM 36 C LIG 1 -5.119 1.164 0.362 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -4.593 -1.654 -2.046 0.00 0.00 +0.043 A ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12