REMARK Name = BDB064606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.353 -1.870 -1.155 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.498 -1.798 -0.077 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.797 -2.220 0.794 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -1.005 -1.652 -2.313 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.924 0.091 -0.822 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -3.718 -1.183 -1.299 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -2.812 -2.203 -0.774 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -3.254 -3.479 -1.481 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.725 -2.995 -2.851 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -4.293 -1.602 -2.569 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -4.553 0.926 -1.482 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -4.713 -3.876 -3.368 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -4.259 -4.700 -3.623 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.354 0.479 0.565 0.00 0.00 +0.168 C BRANCH 14 15 ATOM 15 N LIG 1 -2.700 1.778 0.347 0.00 0.00 -0.303 N ATOM 16 H LIG 1 -3.175 2.397 -0.304 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -1.371 1.987 0.616 0.00 0.00 +0.211 C ATOM 18 O LIG 1 -0.657 1.183 1.209 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -0.842 3.311 0.132 0.00 0.00 +0.109 C ENDBRANCH 14 15 BRANCH 14 20 ATOM 20 C LIG 1 -4.450 0.523 1.689 0.00 0.00 +0.010 C ATOM 21 C LIG 1 -5.496 1.631 1.442 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -5.204 -0.826 1.745 0.00 0.00 +0.017 C BRANCH 20 24 ATOM 23 C LIG 1 -3.760 0.128 4.157 0.00 0.00 +0.004 C ATOM 24 C LIG 1 -3.768 0.849 3.026 0.00 0.00 -0.026 C ENDBRANCH 20 24 ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 25 ATOM 25 C LIG 1 0.956 -1.647 -0.221 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C LIG 1 1.544 -3.036 -0.564 0.00 0.00 +0.231 C ATOM 27 O LIG 1 0.868 -4.061 -0.649 0.00 0.00 -0.274 OA ATOM 28 N LIG 1 2.899 -3.115 -0.700 0.00 0.00 -0.328 N ATOM 29 H LIG 1 3.515 -2.375 -0.386 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 3.291 -4.037 -0.823 0.00 0.00 +0.145 HD ENDBRANCH 25 26 BRANCH 25 31 ATOM 31 C LIG 1 1.375 -0.531 -1.199 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 2.699 0.118 -0.853 0.00 0.00 -0.045 A ATOM 33 C LIG 1 3.806 -0.021 -1.698 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.032 0.561 -1.363 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.184 1.305 -0.181 0.00 0.00 -0.018 A ATOM 36 C LIG 1 4.062 1.457 0.649 0.00 0.00 +0.009 A ATOM 37 C LIG 1 2.835 0.876 0.318 0.00 0.00 +0.004 A BRANCH 35 38 ATOM 38 C LIG 1 6.480 1.906 0.174 0.00 0.00 -0.018 A ATOM 39 C LIG 1 7.073 1.657 1.424 0.00 0.00 +0.008 A ATOM 40 C LIG 1 8.304 2.223 1.761 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.965 3.048 0.854 0.00 0.00 +0.000 A ATOM 42 C LIG 1 8.395 3.309 -0.389 0.00 0.00 +0.001 A ATOM 43 C LIG 1 7.163 2.742 -0.724 0.00 0.00 +0.008 A ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 2 25 TORSDOF 11