REMARK Name = BDB026028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.270 -0.649 -0.377 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.540 0.524 -0.059 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.851 0.573 -0.227 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.562 -0.529 -0.731 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.822 -1.678 -1.043 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.428 -2.787 -1.498 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.563 -1.741 -0.875 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.766 -3.016 2.657 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.350 -2.662 1.219 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.383 -3.052 0.211 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.649 -4.496 0.252 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.945 -2.622 -1.152 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.037 -2.857 -2.211 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.547 -1.117 -1.232 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.657 -0.656 -0.153 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.056 -1.137 1.186 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.026 -0.460 -0.890 0.00 0.00 -0.023 C ATOM 18 C LIG 1 3.874 0.556 -0.180 0.00 0.00 +0.144 C ATOM 19 N LIG 1 5.220 0.221 -0.613 0.00 0.00 -0.288 N ATOM 20 C LIG 1 6.298 0.945 -0.125 0.00 0.00 +0.267 C ATOM 21 O LIG 1 6.129 1.860 0.685 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 5.239 -0.874 -1.564 0.00 0.00 +0.136 C ATOM 23 C LIG 1 3.798 -1.236 -1.666 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 C LIG 1 7.698 0.646 -0.560 0.00 0.00 +0.144 A ATOM 25 N LIG 1 7.936 -0.337 -1.471 0.00 0.00 -0.247 NA ATOM 26 C LIG 1 9.236 -0.529 -1.800 0.00 0.00 +0.131 A ATOM 27 C LIG 1 10.265 0.219 -1.253 0.00 0.00 +0.130 A ATOM 28 N LIG 1 10.043 1.197 -0.349 0.00 0.00 -0.259 NA ATOM 29 C LIG 1 8.738 1.393 -0.016 0.00 0.00 +0.143 A ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.313 1.616 0.398 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.306 1.393 0.417 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.892 2.880 0.723 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.248 3.323 0.700 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.023 3.776 1.093 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.749 3.690 2.354 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.750 4.560 2.597 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.114 5.595 1.597 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.030 6.379 1.803 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.362 5.604 0.449 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.597 6.322 -0.227 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.337 4.726 0.197 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.340 2.654 3.353 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.014 2.682 3.625 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.638 1.403 2.917 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.982 2.802 4.542 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6