REMARK Name = BDB054072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.669 1.984 -2.935 0.00 0.00 +0.139 A ATOM 2 C LIG 1 -0.787 1.623 -1.905 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.259 0.720 -0.962 0.00 0.00 +0.152 A ATOM 4 O LIG 1 -0.558 0.245 0.128 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 -1.442 -0.524 0.880 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -2.747 -0.764 0.136 0.00 0.00 +0.117 C ATOM 7 C LIG 1 -2.860 -2.204 -0.367 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -3.834 -0.396 1.143 0.00 0.00 +0.169 C ATOM 9 O LIG 1 -4.776 0.358 0.886 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -3.729 -1.005 2.527 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -2.324 -1.372 2.948 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -2.086 -1.998 3.978 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -1.193 -0.848 2.151 0.00 0.00 +0.090 C ATOM 14 C LIG 1 -2.553 0.186 -1.012 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -3.395 0.518 -2.054 0.00 0.00 +0.128 A ATOM 16 C LIG 1 -2.957 1.420 -3.023 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 0.565 2.221 -1.790 0.00 0.00 +0.251 C ATOM 18 N LIG 1 1.568 1.369 -1.391 0.00 0.00 -0.307 N ATOM 19 H LIG 1 1.361 0.402 -1.177 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 0.748 3.412 -2.013 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 2.908 1.850 -1.151 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 3.790 0.742 -0.623 0.00 0.00 -0.022 A ATOM 23 C LIG 1 3.704 0.277 0.719 0.00 0.00 -0.013 A ATOM 24 C LIG 1 4.543 -0.791 1.124 0.00 0.00 -0.017 A ATOM 25 C LIG 1 4.479 -1.272 2.443 0.00 0.00 +0.008 A ATOM 26 C LIG 1 3.595 -0.720 3.370 0.00 0.00 +0.001 A ATOM 27 C LIG 1 2.768 0.328 2.991 0.00 0.00 +0.001 A ATOM 28 C LIG 1 5.436 -1.367 0.206 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.509 -0.922 -1.117 0.00 0.00 -0.050 A ATOM 30 C LIG 1 6.490 -1.533 -2.073 0.00 0.00 +0.044 C ATOM 31 C LIG 1 2.824 0.820 1.686 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.689 0.133 -1.519 0.00 0.00 +0.009 A ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 33 ATOM 33 C LIG 1 -4.693 -2.146 2.713 0.00 0.00 +0.148 C ATOM 34 O LIG 1 -4.831 -3.024 1.861 0.00 0.00 -0.296 OA ATOM 35 C LIG 1 -5.459 -2.196 4.011 0.00 0.00 +0.087 C ENDBRANCH 10 33 BRANCH 1 37 ATOM 36 C LIG 1 -1.768 4.121 -3.793 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -1.257 2.796 -3.962 0.00 0.00 -0.494 OA ENDBRANCH 1 37 BRANCH 15 38 ATOM 38 O LIG 1 -4.616 -0.071 -2.132 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 -5.151 0.385 -2.804 0.00 0.00 +0.292 HD ENDBRANCH 15 38 TORSDOF 6