REMARK Name = BDB034097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.348 -3.587 -0.717 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.276 -2.441 -0.279 0.00 0.00 +0.247 C ATOM 3 N LIG 1 -0.123 -1.658 -0.357 0.00 0.00 -0.297 N ATOM 4 C LIG 1 0.103 -0.456 0.451 0.00 0.00 +0.111 C ATOM 5 C LIG 1 1.576 -0.262 0.772 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.417 -0.156 -0.506 0.00 0.00 +0.176 C ATOM 7 C LIG 1 1.934 -1.112 -1.607 0.00 0.00 +0.063 C ATOM 8 C LIG 1 1.029 -2.211 -1.065 0.00 0.00 +0.111 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -2.483 -1.875 0.364 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -3.026 -0.661 -0.071 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.175 -0.127 0.543 0.00 0.00 -0.002 A ATOM 12 C LIG 1 -4.782 -0.858 1.584 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -4.236 -2.075 2.009 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.097 -2.591 1.391 0.00 0.00 +0.016 A BRANCH 11 15 ATOM 15 C LIG 1 -4.742 1.207 0.071 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -5.106 1.198 -1.422 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -5.827 2.485 -1.834 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -5.417 3.708 -1.012 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -3.986 3.595 -0.503 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -3.793 2.377 0.406 0.00 0.00 +0.008 C ENDBRANCH 11 15 BRANCH 12 21 ATOM 21 O LIG 1 -5.881 -0.300 2.184 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -6.965 -1.189 2.454 0.00 0.00 +0.188 C ATOM 23 C LIG 1 -7.636 -1.764 1.196 0.00 0.00 +0.125 C ATOM 24 N LIG 1 -9.085 -1.490 1.294 0.00 0.00 -0.312 NA ATOM 25 H LIG 1 -9.284 -0.665 0.725 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -9.326 -1.147 2.699 0.00 0.00 +0.084 C ATOM 27 C LIG 1 -8.085 -0.388 3.107 0.00 0.00 +0.061 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 2 9 BRANCH 6 28 ATOM 28 O LIG 1 3.767 -0.462 -0.130 0.00 0.00 -0.489 OA BRANCH 28 29 ATOM 29 C LIG 1 4.790 0.148 -0.801 0.00 0.00 +0.125 A ATOM 30 C LIG 1 6.043 0.044 -0.177 0.00 0.00 +0.069 A ATOM 31 C LIG 1 7.217 0.605 -0.720 0.00 0.00 +0.036 A ATOM 32 C LIG 1 7.075 1.287 -1.932 0.00 0.00 +0.061 A ATOM 33 C LIG 1 5.834 1.380 -2.561 0.00 0.00 +0.129 A ATOM 34 F LIG 1 5.744 2.026 -3.733 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.691 0.815 -2.013 0.00 0.00 +0.084 A BRANCH 31 36 ATOM 36 N LIG 1 8.433 0.483 -0.045 0.00 0.00 -0.327 N ATOM 37 C LIG 1 8.741 -0.863 0.499 0.00 0.00 +0.120 C ATOM 38 C LIG 1 10.260 -1.075 0.707 0.00 0.00 +0.100 C ATOM 39 N LIG 1 11.089 -0.802 -0.483 0.00 0.00 -0.313 NA ATOM 40 H LIG 1 11.003 -1.586 -1.130 0.00 0.00 +0.122 HD ATOM 41 C LIG 1 10.633 0.417 -1.188 0.00 0.00 +0.100 C ATOM 42 C LIG 1 9.616 1.282 -0.414 0.00 0.00 +0.120 C ENDBRANCH 31 36 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 7