REMARK Name = BDB026992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.325 -1.014 0.699 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.877 -2.221 1.518 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.762 -3.510 0.976 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.353 -4.584 1.771 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.069 -4.389 3.121 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.205 -3.123 3.682 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.612 -2.049 2.889 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.779 -0.794 0.953 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -3.261 -1.520 0.415 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -2.944 1.570 1.600 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.255 0.534 0.515 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -4.778 0.455 0.236 0.00 0.00 +0.055 C BRANCH 12 13 ATOM 13 C LIG 1 -5.325 1.665 -0.497 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -6.083 2.672 0.125 0.00 0.00 +0.046 A ATOM 15 CL LIG 1 -6.476 2.624 1.807 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 -6.552 3.767 -0.608 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -6.266 3.864 -1.967 0.00 0.00 +0.042 A ATOM 18 CL LIG 1 -6.842 5.213 -2.866 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -5.519 2.879 -2.603 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.051 1.786 -1.873 0.00 0.00 +0.006 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.065 -1.176 -0.820 0.00 0.00 +0.186 C ATOM 22 O LIG 1 -1.979 -1.564 -1.561 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.253 -0.857 -1.395 0.00 0.00 +0.044 A ATOM 24 C LIG 1 1.520 -0.521 -0.796 0.00 0.00 +0.010 A ATOM 25 C LIG 1 2.426 -0.300 -1.840 0.00 0.00 +0.048 A ATOM 26 C LIG 1 3.769 0.056 -1.636 0.00 0.00 +0.034 A ATOM 27 C LIG 1 4.237 0.189 -0.322 0.00 0.00 -0.013 A ATOM 28 C LIG 1 3.358 -0.033 0.740 0.00 0.00 +0.009 A ATOM 29 N LIG 1 1.755 -0.505 -3.020 0.00 0.00 -0.360 N ATOM 30 H LIG 1 2.169 -0.423 -3.939 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 2.016 -0.384 0.518 0.00 0.00 +0.011 A ATOM 32 C LIG 1 0.459 -0.841 -2.767 0.00 0.00 +0.095 A BRANCH 27 33 ATOM 33 C LIG 1 5.622 0.558 -0.083 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.379 0.163 1.002 0.00 0.00 +0.116 A ATOM 35 N LIG 1 7.617 0.711 0.827 0.00 0.00 -0.274 N ATOM 36 C LIG 1 8.758 0.577 1.700 0.00 0.00 +0.172 C ATOM 37 N LIG 1 7.729 1.436 -0.300 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 6.516 1.341 -0.852 0.00 0.00 +0.142 A ENDBRANCH 27 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8