REMARK Name = BDB025693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.786 -0.463 -0.643 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.100 0.666 -0.129 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.300 0.701 -0.104 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.067 -0.369 -0.602 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.366 -1.470 -1.116 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.035 -2.522 -1.613 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.028 -1.525 -1.138 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.906 -3.532 0.372 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.698 -2.228 0.533 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.682 -2.162 -0.574 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.058 -2.094 -0.091 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.405 -1.069 -1.525 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.899 -0.921 -1.816 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.195 -0.482 -0.596 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.741 -1.007 0.683 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.537 -0.325 -0.583 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.335 -1.404 -0.261 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.688 -1.385 -0.231 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.307 -0.235 -0.539 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.623 0.871 -0.873 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.273 0.803 -0.885 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.702 -0.197 -0.547 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.259 1.151 -0.359 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.791 1.107 -0.467 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.361 0.156 0.446 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.858 -1.159 0.157 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.329 -1.224 0.298 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.924 1.726 0.308 0.00 0.00 -0.277 N ATOM 29 H LIG 1 -2.905 1.526 0.149 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.569 2.944 0.854 0.00 0.00 +0.284 C ATOM 31 O LIG 1 -0.409 3.281 1.076 0.00 0.00 -0.266 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.705 3.808 1.154 0.00 0.00 +0.189 A ATOM 33 O LIG 1 -2.446 5.020 1.744 0.00 0.00 -0.458 OA ATOM 34 C LIG 1 -3.631 5.651 1.931 0.00 0.00 +0.196 A ATOM 35 C LIG 1 -4.666 4.874 1.473 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -4.074 3.688 0.972 0.00 0.00 +0.054 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5