REMARK Name = BDB050535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.347 -0.756 -0.418 0.00 0.00 +0.201 C ATOM 2 O LIG 1 0.682 -1.326 -0.049 0.00 0.00 -0.286 OA ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.862 -0.411 0.009 0.00 0.00 +0.117 A ATOM 4 C LIG 1 -1.671 -1.129 0.060 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -1.998 -2.363 0.723 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -3.354 -2.305 1.010 0.00 0.00 +0.136 A ATOM 7 C LIG 1 -4.070 -3.314 1.650 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -3.350 -4.455 2.015 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.985 -4.562 1.744 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.294 -3.526 1.099 0.00 0.00 +0.012 A ATOM 11 O LIG 1 -3.872 -1.129 0.581 0.00 0.00 -0.459 OA BRANCH 3 12 ATOM 12 C LIG 1 -3.288 0.929 -0.481 0.00 0.00 +0.075 C BRANCH 12 13 ATOM 13 C LIG 1 -3.963 0.841 -1.850 0.00 0.00 +0.007 C BRANCH 13 15 ATOM 14 C LIG 1 -4.945 2.149 -3.766 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -4.284 2.231 -2.400 0.00 0.00 -0.003 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 3 12 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 C LIG 1 -0.195 0.301 -1.431 0.00 0.00 +0.064 A ATOM 17 C LIG 1 0.278 1.571 -1.078 0.00 0.00 +0.131 A ATOM 18 C LIG 1 0.410 2.554 -2.061 0.00 0.00 +0.046 A ATOM 19 C LIG 1 0.128 2.249 -3.394 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -0.298 0.968 -3.749 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -0.460 -0.011 -2.769 0.00 0.00 +0.015 A BRANCH 17 22 ATOM 22 O LIG 1 0.482 1.881 0.240 0.00 0.00 -0.491 OA BRANCH 22 23 ATOM 23 C LIG 1 1.852 2.170 0.554 0.00 0.00 +0.227 C BRANCH 23 24 ATOM 24 C LIG 1 2.547 0.876 0.972 0.00 0.00 +0.023 C BRANCH 24 25 ATOM 25 C LIG 1 3.933 1.124 1.546 0.00 0.00 -0.073 C BRANCH 25 26 ATOM 26 N LIG 1 4.641 -0.171 2.000 0.00 0.00 +0.374 N ATOM 27 C LIG 1 6.031 0.206 2.515 0.00 0.00 -0.093 C ATOM 28 C LIG 1 3.878 -0.857 3.132 0.00 0.00 -0.093 C ATOM 29 C LIG 1 4.806 -1.156 0.844 0.00 0.00 -0.093 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 1 16 TORSDOF 10