REMARK Name = BDB063068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.457 -1.919 -1.097 0.00 0.00 +0.027 C ATOM 2 C LIG 1 1.293 -0.903 -0.933 0.00 0.00 +0.030 C ATOM 3 C LIG 1 0.589 -0.344 -2.170 0.00 0.00 +0.119 C ATOM 4 C LIG 1 -0.609 0.556 -1.794 0.00 0.00 +0.036 C ATOM 5 C LIG 1 -1.598 -0.061 -0.772 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -0.840 -0.607 0.502 0.00 0.00 -0.021 C ATOM 7 C LIG 1 -0.184 0.543 1.321 0.00 0.00 +0.012 C ATOM 8 C LIG 1 -1.861 -1.295 1.437 0.00 0.00 +0.039 C ATOM 9 C LIG 1 -3.124 -0.473 1.747 0.00 0.00 +0.119 C ATOM 10 C LIG 1 -3.864 -0.063 0.441 0.00 0.00 +0.032 C ATOM 11 C LIG 1 -5.342 0.497 0.599 0.00 0.00 -0.003 C ATOM 12 C LIG 1 -5.425 1.752 1.491 0.00 0.00 +0.014 C ATOM 13 C LIG 1 -6.283 -0.554 1.256 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -5.928 0.758 -0.824 0.00 0.00 +0.121 C ATOM 15 C LIG 1 -5.044 1.609 -1.722 0.00 0.00 +0.032 C ATOM 16 C LIG 1 -3.638 1.038 -1.850 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -2.910 0.801 -0.491 0.00 0.00 -0.023 C ATOM 18 C LIG 1 -2.572 2.193 0.099 0.00 0.00 +0.012 C ATOM 19 C LIG 1 0.277 -1.641 -0.004 0.00 0.00 -0.021 C ATOM 20 C LIG 1 -0.358 -2.891 -0.707 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.240 -2.197 1.063 0.00 0.00 +0.008 C ATOM 22 C LIG 1 2.492 -2.636 0.286 0.00 0.00 +0.007 C ENDROOT BRANCH 1 23 ATOM 23 C LIG 1 3.862 -1.447 -1.594 0.00 0.00 +0.067 C ATOM 24 C LIG 1 3.951 -1.508 -3.131 0.00 0.00 +0.041 C BRANCH 23 25 ATOM 25 O LIG 1 4.824 -2.421 -1.141 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 5.699 -2.161 -1.480 0.00 0.00 +0.210 HD ENDBRANCH 23 25 BRANCH 23 27 ATOM 27 C LIG 1 4.330 -0.055 -1.111 0.00 0.00 +0.039 C BRANCH 27 28 ATOM 28 C LIG 1 4.519 0.087 0.403 0.00 0.00 +0.030 C BRANCH 28 31 ATOM 29 C LIG 1 7.447 0.903 1.155 0.00 0.00 +0.038 C ATOM 30 C LIG 1 6.262 1.829 1.101 0.00 0.00 -0.080 C ATOM 31 C LIG 1 5.011 1.466 0.755 0.00 0.00 -0.028 C ATOM 32 C LIG 1 6.576 3.257 1.462 0.00 0.00 +0.038 C ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 1 23 BRANCH 9 33 ATOM 33 O LIG 1 -3.939 -1.309 2.562 0.00 0.00 -0.391 OA ATOM 34 H LIG 1 -3.451 -1.498 3.382 0.00 0.00 +0.210 HD ENDBRANCH 9 33 BRANCH 14 35 ATOM 35 O LIG 1 -7.221 1.363 -0.766 0.00 0.00 -0.391 OA ATOM 36 H LIG 1 -7.119 2.270 -0.435 0.00 0.00 +0.210 HD ENDBRANCH 14 35 BRANCH 3 37 ATOM 37 O LIG 1 1.483 0.447 -2.944 0.00 0.00 -0.391 OA ATOM 38 H LIG 1 1.679 1.262 -2.451 0.00 0.00 +0.210 HD ENDBRANCH 3 37 TORSDOF 8