REMARK Name = BDB010987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.776 1.584 -0.362 0.00 0.00 -0.031 A ATOM 2 C LIG 1 3.044 0.534 -0.972 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.692 0.477 -0.600 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.139 1.422 0.323 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.180 1.091 0.470 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.398 -0.012 -0.340 0.00 0.00 -0.235 N ATOM 7 C LIG 1 1.801 2.476 0.959 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.738 -0.376 -0.988 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 3.167 2.506 0.560 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.625 -0.720 -0.517 0.00 0.00 +0.107 A ATOM 11 C LIG 1 -1.734 -1.814 -1.362 0.00 0.00 +0.149 A ATOM 12 O LIG 1 -0.747 -2.356 -2.149 0.00 0.00 -0.489 OA ATOM 13 C LIG 1 -1.273 -3.630 -2.570 0.00 0.00 +0.234 C ATOM 14 C LIG 1 -2.793 -3.559 -2.529 0.00 0.00 +0.080 C ATOM 15 C LIG 1 -2.943 -2.482 -1.521 0.00 0.00 -0.000 A ATOM 16 C LIG 1 -4.088 -2.089 -0.846 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -4.044 -1.000 0.045 0.00 0.00 -0.034 A ATOM 18 C LIG 1 -2.792 -0.330 0.178 0.00 0.00 +0.035 A BRANCH 17 19 ATOM 19 C LIG 1 -5.370 -0.486 0.853 0.00 0.00 +0.049 C ATOM 20 C LIG 1 -5.165 -0.203 2.376 0.00 0.00 +0.174 C ATOM 21 O LIG 1 -5.756 -1.480 2.725 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -6.321 -1.594 1.399 0.00 0.00 +0.174 C BRANCH 19 23 ATOM 23 C LIG 1 -6.019 0.620 0.001 0.00 0.00 +0.092 C BRANCH 23 24 ATOM 24 C LIG 1 -7.260 1.236 0.544 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -8.532 1.020 0.078 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -8.943 0.170 -1.006 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -9.353 1.789 0.843 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.638 2.453 1.719 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.322 2.116 1.523 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 17 19 ENDBRANCH 6 10 BRANCH 7 30 ATOM 30 C LIG 1 1.215 3.456 1.924 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.114 4.375 2.374 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.190 4.174 1.386 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.708 2.859 3.038 0.00 0.00 -0.166 F ENDBRANCH 7 30 BRANCH 1 34 ATOM 34 C LIG 1 5.253 1.733 -0.698 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 9.614 -0.580 -0.847 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.111 -0.725 -0.607 0.00 0.00 +0.000 C ATOM 37 C LIG 1 7.410 0.633 -0.815 0.00 0.00 +0.088 C ATOM 38 N LIG 1 6.059 0.587 -0.257 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 6.083 0.454 1.211 0.00 0.00 +0.085 C ATOM 40 C LIG 1 7.325 -0.269 1.752 0.00 0.00 +0.016 C ATOM 41 C LIG 1 7.822 -1.330 0.779 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 7