REMARK Name = BDB058511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.670 -1.756 0.851 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.145 -0.476 0.729 0.00 0.00 +0.143 A ATOM 3 O LIG 1 1.164 -0.485 1.130 0.00 0.00 -0.458 OA ATOM 4 C LIG 1 1.489 -1.763 1.471 0.00 0.00 +0.120 A ATOM 5 C LIG 1 0.394 -2.582 1.313 0.00 0.00 +0.055 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.695 -2.914 -0.002 0.00 0.00 -0.015 A ATOM 7 C LIG 1 -3.614 -3.592 -0.582 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.297 -3.210 -0.301 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.039 -2.140 0.562 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -3.114 -1.470 1.155 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -4.430 -1.853 0.873 0.00 0.00 +0.009 A BRANCH 6 15 ATOM 12 C LIG 1 -8.278 -3.695 -0.220 0.00 0.00 +0.195 A ATOM 13 O LIG 1 -7.837 -4.096 -1.439 0.00 0.00 -0.470 OA ATOM 14 C LIG 1 -6.501 -3.853 -1.473 0.00 0.00 +0.203 A ATOM 15 C LIG 1 -6.069 -3.301 -0.283 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -7.237 -3.195 0.526 0.00 0.00 +0.049 A ENDBRANCH 6 15 ENDBRANCH 1 9 BRANCH 2 17 ATOM 17 C LIG 1 -0.626 0.824 0.270 0.00 0.00 +0.018 A ATOM 18 C LIG 1 -0.177 2.004 0.877 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -0.632 3.256 0.447 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -1.548 3.358 -0.607 0.00 0.00 -0.015 A ATOM 21 C LIG 1 -1.989 2.182 -1.225 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -1.532 0.930 -0.792 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 C LIG 1 -2.030 4.650 -1.070 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.174 5.767 -0.270 0.00 0.00 +0.203 A ATOM 25 O LIG 1 -2.655 6.817 -0.984 0.00 0.00 -0.470 OA ATOM 26 C LIG 1 -2.831 6.380 -2.255 0.00 0.00 +0.195 A ATOM 27 C LIG 1 -2.468 5.058 -2.362 0.00 0.00 +0.049 A ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 4 28 ATOM 28 C LIG 1 2.889 -1.995 1.917 0.00 0.00 +0.156 C BRANCH 28 29 ATOM 29 N LIG 1 3.777 -2.433 0.834 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 3.380 -3.273 0.417 0.00 0.00 +0.122 HD BRANCH 29 31 ATOM 31 C LIG 1 3.978 -1.439 -0.226 0.00 0.00 +0.085 C BRANCH 31 32 ATOM 32 C LIG 1 4.658 -0.129 0.214 0.00 0.00 +0.005 C ATOM 33 C LIG 1 6.036 -0.371 0.849 0.00 0.00 +0.020 C ATOM 34 C LIG 1 6.743 0.948 1.158 0.00 0.00 +0.081 C ATOM 35 N LIG 1 6.872 1.792 -0.032 0.00 0.00 -0.316 NA ATOM 36 H LIG 1 7.428 1.296 -0.728 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 5.557 2.092 -0.602 0.00 0.00 +0.081 C ATOM 38 C LIG 1 4.804 0.820 -0.987 0.00 0.00 +0.020 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 8