REMARK Name = BDB025740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.153 -1.857 0.268 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.121 -0.442 0.259 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.071 0.242 -0.008 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.267 -0.451 -0.270 0.00 0.00 +0.022 A ATOM 5 C LIG 1 2.209 -1.854 -0.255 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.317 -2.576 -0.487 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.029 -2.550 0.005 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.080 -4.041 -1.712 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.363 -3.690 -0.404 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.163 -4.929 0.393 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.343 -5.220 1.211 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.936 -4.900 1.227 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -0.869 -5.762 0.539 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.391 -3.495 1.612 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.384 -2.507 0.512 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.048 -2.936 -0.735 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.519 0.270 -0.543 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.914 1.404 0.138 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.059 2.086 -0.093 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.877 1.631 -1.056 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.587 0.539 -1.778 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.431 -0.109 -1.508 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.037 2.329 -1.326 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.118 1.655 -2.050 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.417 1.715 -1.229 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.848 3.050 -0.915 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.764 3.987 -0.802 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.440 3.349 -0.356 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.345 0.194 0.553 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.089 -0.479 0.722 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.635 1.540 0.574 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -0.870 2.453 0.284 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.036 1.871 0.958 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -3.650 2.980 0.349 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.967 3.370 0.653 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -5.643 2.570 1.595 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -5.038 1.472 2.222 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -3.730 1.124 1.911 0.00 0.00 +0.013 A BRANCH 35 39 ATOM 39 N LIG 1 -5.589 4.458 0.027 0.00 0.00 -0.336 N ATOM 40 C LIG 1 -6.737 5.079 0.688 0.00 0.00 +0.129 C ATOM 41 C LIG 1 -4.782 5.358 -0.798 0.00 0.00 +0.129 C ENDBRANCH 35 39 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6