REMARK Name = BDB003943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.813 1.446 2.161 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -1.797 2.216 1.514 0.00 0.00 +0.045 A ATOM 3 CL LIG 1 -1.387 3.434 0.358 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -3.152 2.016 1.784 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.535 1.025 2.690 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.575 0.263 3.356 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.222 0.467 3.085 0.00 0.00 +0.006 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -4.960 0.811 3.009 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -5.800 0.378 2.002 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -5.435 -0.067 0.662 0.00 0.00 +0.124 C ATOM 11 C LIG 1 -6.774 -0.306 -0.078 0.00 0.00 +0.064 C ATOM 12 C LIG 1 -7.248 0.995 -0.730 0.00 0.00 +0.227 C ATOM 13 O LIG 1 -6.520 1.980 -0.857 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 -8.536 1.069 -1.219 0.00 0.00 -0.256 N ATOM 15 H LIG 1 -8.797 2.014 -1.477 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -9.399 0.151 -1.775 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.463 0.544 -2.253 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.033 -1.313 -1.790 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -7.602 -1.543 -2.235 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.574 -1.425 -1.114 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -7.692 -0.694 1.105 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -7.208 0.175 2.260 0.00 0.00 +0.109 C ATOM 23 O LIG 1 -5.330 1.007 4.163 0.00 0.00 -0.270 OA ENDBRANCH 5 8 BRANCH 1 24 ATOM 24 C LIG 1 0.667 1.613 1.892 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 1.126 0.758 0.707 0.00 0.00 +0.005 C BRANCH 25 26 ATOM 26 C LIG 1 2.583 1.005 0.305 0.00 0.00 +0.000 C BRANCH 26 27 ATOM 27 C LIG 1 3.591 0.561 1.368 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 5.048 0.794 0.957 0.00 0.00 +0.019 C BRANCH 28 29 ATOM 29 C LIG 1 5.496 -0.076 -0.212 0.00 0.00 +0.107 C BRANCH 29 31 ATOM 30 C LIG 1 7.608 -0.806 -1.223 0.00 0.00 +0.401 C ATOM 31 N LIG 1 6.905 0.094 -0.479 0.00 0.00 -0.281 N ATOM 32 H LIG 1 7.324 1.012 -0.432 0.00 0.00 +0.152 HD ATOM 33 O LIG 1 7.191 -1.893 -1.588 0.00 0.00 -0.226 OA BRANCH 30 34 ATOM 34 O LIG 1 8.824 -0.282 -1.496 0.00 0.00 -0.445 OA BRANCH 34 36 ATOM 35 C LIG 1 11.020 -0.105 -2.357 0.00 0.00 +0.055 C ATOM 36 C LIG 1 9.792 -1.025 -2.281 0.00 0.00 +0.107 C ATOM 37 C LIG 1 9.280 -1.277 -3.703 0.00 0.00 +0.055 C ATOM 38 C LIG 1 10.198 -2.326 -1.579 0.00 0.00 +0.055 C ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10