REMARK Name = BDB064375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.239 0.723 0.781 0.00 0.00 -0.287 N ATOM 2 C LIG 1 0.577 1.275 -0.307 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.038 2.246 -0.911 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.753 0.756 -0.762 0.00 0.00 +0.079 A ATOM 5 C LIG 1 -1.562 1.753 -1.362 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.847 1.492 -1.853 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.345 0.197 -1.733 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.570 -0.815 -1.146 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.260 -0.548 -0.663 0.00 0.00 +0.140 A ATOM 10 O LIG 1 -0.652 -1.660 -0.154 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 0.660 -1.600 0.376 0.00 0.00 +0.248 C ATOM 12 C LIG 1 0.797 -0.510 1.421 0.00 0.00 +0.149 C ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 5.217 -0.837 0.038 0.00 0.00 -0.029 A ATOM 14 C LIG 1 4.048 -0.076 0.095 0.00 0.00 +0.012 A ATOM 15 C LIG 1 3.681 0.580 1.279 0.00 0.00 -0.005 A ATOM 16 C LIG 1 2.420 1.425 1.335 0.00 0.00 +0.108 C ATOM 17 C LIG 1 2.093 1.977 2.738 0.00 0.00 +0.028 C ATOM 18 C LIG 1 3.357 2.412 3.468 0.00 0.00 +0.008 C ATOM 19 C LIG 1 4.280 1.213 3.657 0.00 0.00 +0.056 C ATOM 20 C LIG 1 4.558 0.494 2.364 0.00 0.00 +0.046 A ATOM 21 N LIG 1 5.694 -0.246 2.335 0.00 0.00 -0.259 NA ATOM 22 C LIG 1 5.996 -0.886 1.184 0.00 0.00 +0.114 A BRANCH 13 24 ATOM 23 C LIG 1 6.471 -0.642 -2.121 0.00 0.00 +0.009 C ATOM 24 C LIG 1 5.634 -1.539 -1.222 0.00 0.00 +0.033 C ENDBRANCH 13 24 ENDBRANCH 1 16 BRANCH 8 25 ATOM 25 C LIG 1 -3.163 -2.142 -1.033 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.410 -2.971 0.105 0.00 0.00 +0.173 A ATOM 27 N LIG 1 -3.977 -4.139 -0.274 0.00 0.00 -0.167 NA ATOM 28 N LIG 1 -4.074 -4.048 -1.610 0.00 0.00 -0.273 N ATOM 29 C LIG 1 -4.633 -5.152 -2.355 0.00 0.00 +0.172 C ATOM 30 C LIG 1 -3.614 -2.870 -2.114 0.00 0.00 +0.117 A BRANCH 26 31 ATOM 31 C LIG 1 -3.114 -2.655 1.548 0.00 0.00 +0.437 C ATOM 32 F LIG 1 -4.046 -3.162 2.402 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -1.911 -3.150 1.953 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -3.076 -1.315 1.795 0.00 0.00 -0.164 F ENDBRANCH 26 31 ENDBRANCH 8 25 BRANCH 6 35 ATOM 35 C LIG 1 -3.680 2.592 -2.458 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 N LIG 1 -4.468 3.273 -1.447 0.00 0.00 -0.332 N ATOM 37 C LIG 1 -4.098 4.401 -0.771 0.00 0.00 +0.199 A ATOM 38 N LIG 1 -5.043 4.798 0.051 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 -6.061 3.893 -0.102 0.00 0.00 +0.130 A ATOM 40 C LIG 1 -5.729 2.939 -1.036 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 6