REMARK Name = BDB049523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 -0.870 0.572 0.00 0.00 +0.172 A ATOM 2 C LIG 1 -0.744 -1.350 -0.723 0.00 0.00 +0.202 A ATOM 3 C LIG 1 0.314 -1.349 -1.646 0.00 0.00 +0.177 A ATOM 4 C LIG 1 1.582 -0.900 -1.277 0.00 0.00 +0.109 A ATOM 5 C LIG 1 1.780 -0.468 0.035 0.00 0.00 +0.146 A ATOM 6 O LIG 1 2.989 -0.026 0.512 0.00 0.00 -0.454 OA ATOM 7 C LIG 1 4.078 -0.037 -0.341 0.00 0.00 +0.139 A ATOM 8 C LIG 1 4.019 -0.412 -1.625 0.00 0.00 +0.098 A ATOM 9 C LIG 1 2.739 -0.866 -2.198 0.00 0.00 +0.197 A ATOM 10 O LIG 1 2.699 -1.178 -3.380 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 0.723 -0.460 0.952 0.00 0.00 +0.096 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 5.334 0.434 0.273 0.00 0.00 +0.017 A ATOM 13 C LIG 1 6.550 -0.233 0.058 0.00 0.00 +0.011 A ATOM 14 C LIG 1 7.729 0.221 0.656 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.706 1.342 1.481 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.506 2.010 1.712 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.327 1.556 1.115 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 2 18 ATOM 18 O LIG 1 -1.922 -1.872 -1.186 0.00 0.00 -0.501 OA ATOM 19 H LIG 1 -2.495 -2.088 -0.417 0.00 0.00 +0.292 HD ENDBRANCH 2 18 BRANCH 3 20 ATOM 20 O LIG 1 0.050 -1.822 -2.904 0.00 0.00 -0.503 OA ATOM 21 H LIG 1 -0.881 -2.122 -2.889 0.00 0.00 +0.292 HD ENDBRANCH 3 20 BRANCH 1 22 ATOM 22 O LIG 1 -1.492 -0.786 1.562 0.00 0.00 -0.457 OA BRANCH 22 27 ATOM 23 C LIG 1 -4.954 -0.823 0.385 0.00 0.00 +0.261 C ATOM 24 C LIG 1 -5.028 0.492 -0.393 0.00 0.00 +0.185 C ATOM 25 C LIG 1 -4.208 1.566 0.320 0.00 0.00 +0.180 C ATOM 26 C LIG 1 -2.771 1.103 0.554 0.00 0.00 +0.214 C ATOM 27 C LIG 1 -2.801 -0.266 1.272 0.00 0.00 +0.340 C ATOM 28 O LIG 1 -3.593 -1.229 0.581 0.00 0.00 -0.322 OA BRANCH 23 30 ATOM 29 O LIG 1 -5.258 -3.043 -0.578 0.00 0.00 -0.248 OA ATOM 30 C LIG 1 -5.708 -1.924 -0.373 0.00 0.00 +0.337 C BRANCH 30 31 ATOM 31 O LIG 1 -6.958 -1.573 -0.762 0.00 0.00 -0.479 OA ATOM 32 H LIG 1 -7.153 -0.615 -0.612 0.00 0.00 +0.295 HD ENDBRANCH 30 31 ENDBRANCH 23 30 BRANCH 24 33 ATOM 33 O LIG 1 -6.395 0.939 -0.477 0.00 0.00 -0.386 OA ATOM 34 H LIG 1 -6.333 1.863 -0.811 0.00 0.00 +0.210 HD ENDBRANCH 24 33 BRANCH 25 35 ATOM 35 O LIG 1 -4.234 2.761 -0.473 0.00 0.00 -0.386 OA ATOM 36 H LIG 1 -3.574 3.361 -0.068 0.00 0.00 +0.210 HD ENDBRANCH 25 35 BRANCH 26 37 ATOM 37 O LIG 1 -2.106 2.108 1.332 0.00 0.00 -0.383 OA ATOM 38 H LIG 1 -1.200 1.786 1.501 0.00 0.00 +0.210 HD ENDBRANCH 26 37 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 10