REMARK Name = BDB025840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.209 -0.887 0.778 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.727 0.283 0.134 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.643 0.457 -0.110 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.589 -0.490 0.321 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.101 -1.608 1.008 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.947 -2.541 1.474 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.262 -1.803 1.238 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.753 -3.720 -0.938 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.868 -2.817 -0.394 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.536 -3.270 0.842 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.159 -4.582 0.740 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.782 -3.036 2.089 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.794 -4.144 2.482 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.143 -1.616 2.190 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.581 -1.089 0.936 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.378 -1.350 -0.281 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.029 -0.294 0.068 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.653 0.936 0.305 0.00 0.00 +0.010 A ATOM 19 C LIG 1 5.023 1.121 0.056 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.837 0.095 -0.441 0.00 0.00 +0.030 A ATOM 21 C LIG 1 5.203 -1.132 -0.673 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.834 -1.327 -0.427 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 7.177 0.281 -0.683 0.00 0.00 -0.330 N ATOM 24 C LIG 1 7.913 1.497 -0.350 0.00 0.00 +0.105 C ATOM 25 C LIG 1 9.376 1.106 -0.546 0.00 0.00 +0.020 C ATOM 26 C LIG 1 9.308 0.080 -1.663 0.00 0.00 +0.020 C ATOM 27 C LIG 1 8.038 -0.702 -1.337 0.00 0.00 +0.105 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.693 1.272 -0.167 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.618 1.022 0.172 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.502 2.509 -0.729 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.464 3.003 -1.145 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.761 3.303 -0.772 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.743 3.182 -1.834 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.847 3.951 -1.788 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.077 4.912 -0.676 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.105 5.581 -0.674 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.080 4.966 0.294 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -4.216 5.897 1.404 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.944 4.175 0.231 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -3.487 2.215 -2.946 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.311 2.439 -3.576 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.453 2.264 -3.902 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.470 0.935 -2.494 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6