REMARK Name = BDB025834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.470 0.886 0.551 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.111 -0.439 0.196 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.235 -0.817 0.118 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.267 0.099 0.389 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.889 1.402 0.743 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.827 2.328 1.000 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.553 1.795 0.824 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.266 3.128 2.832 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.779 2.444 1.549 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.974 3.355 0.389 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.353 3.296 -0.103 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.011 3.103 -0.715 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -1.965 4.225 -0.711 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.351 1.697 -0.738 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.837 1.238 0.576 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.300 2.012 1.743 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.682 -0.303 0.302 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.176 -1.067 -0.762 0.00 0.00 +0.032 A ATOM 19 C LIG 1 5.528 -1.438 -0.813 0.00 0.00 +0.092 A ATOM 20 C LIG 1 6.390 -1.035 0.215 0.00 0.00 +0.138 A ATOM 21 N LIG 1 5.928 -0.304 1.257 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 4.615 0.042 1.276 0.00 0.00 +0.121 A BRANCH 20 23 ATOM 23 N LIG 1 7.761 -1.382 0.188 0.00 0.00 -0.320 N ATOM 24 C LIG 1 8.319 -1.521 1.537 0.00 0.00 +0.130 C ATOM 25 C LIG 1 8.509 -0.431 -0.643 0.00 0.00 +0.130 C ENDBRANCH 20 23 BRANCH 19 26 ATOM 26 C LIG 1 5.984 -2.238 -1.909 0.00 0.00 +0.103 C ATOM 27 N LIG 1 6.310 -2.867 -2.830 0.00 0.00 -0.191 NA ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.186 -1.324 -0.036 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.088 -0.877 0.115 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.137 -2.646 -0.397 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.149 -3.339 -0.591 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.495 -3.239 -0.531 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.326 -3.072 -1.717 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.545 -3.647 -1.750 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.040 -4.439 -0.596 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.152 -4.949 -0.609 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.177 -4.547 0.467 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.508 -5.104 1.248 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.932 -3.971 0.506 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.784 -2.283 -2.867 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.625 -2.286 -3.935 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.606 -0.978 -2.533 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.594 -2.751 -3.311 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7