REMARK Name = BDB035175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.674 -2.282 0.166 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.184 -3.533 0.116 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -1.468 -3.516 -1.029 0.00 0.00 -0.217 N ATOM 4 C LIG 1 -1.534 -2.267 -1.589 0.00 0.00 +0.178 A ATOM 5 C LIG 1 -0.807 -2.010 -2.805 0.00 0.00 +0.090 A ATOM 6 N LIG 1 -0.106 -2.956 -3.384 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 -0.088 -4.207 -2.792 0.00 0.00 +0.131 A ATOM 8 C LIG 1 -0.733 -4.507 -1.651 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -2.288 -1.468 -0.874 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.846 -1.576 1.108 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -3.485 -1.789 1.251 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -2.936 -1.489 2.495 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -3.718 -1.028 3.507 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.023 -0.862 3.255 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -5.638 -1.116 2.096 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -1.456 -1.662 2.791 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -0.441 -0.744 2.142 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -0.717 -0.624 3.610 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.817 -1.589 -0.175 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.422 -1.867 -0.118 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.841 -0.619 -3.397 0.00 0.00 +0.094 C BRANCH 21 22 ATOM 22 C LIG 1 0.119 0.315 -2.700 0.00 0.00 -0.041 A ATOM 23 C LIG 1 -0.340 1.208 -1.725 0.00 0.00 +0.005 A ATOM 24 C LIG 1 0.553 2.054 -1.064 0.00 0.00 +0.012 A ATOM 25 C LIG 1 1.923 2.012 -1.349 0.00 0.00 +0.017 A ATOM 26 C LIG 1 2.379 1.126 -2.334 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.487 0.280 -2.997 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 2.832 2.909 -0.634 0.00 0.00 +0.142 A ATOM 29 N LIG 1 4.026 2.555 -0.048 0.00 0.00 -0.327 N ATOM 30 C LIG 1 4.613 3.661 0.489 0.00 0.00 +0.120 A ATOM 31 C LIG 1 3.714 4.691 0.273 0.00 0.00 +0.162 A ATOM 32 N LIG 1 2.606 4.196 -0.409 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 3.829 6.132 0.680 0.00 0.00 +0.436 C ATOM 34 F LIG 1 3.044 6.426 1.750 0.00 0.00 -0.164 F ATOM 35 F LIG 1 3.484 6.988 -0.317 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.104 6.450 1.038 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 4.617 1.201 0.033 0.00 0.00 +0.089 C ATOM 38 C LIG 1 5.108 0.617 1.339 0.00 0.00 +0.027 C ATOM 39 C LIG 1 3.892 0.043 0.678 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 8