REMARK Name = BDB065271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.822 0.594 -0.683 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.461 0.901 -0.251 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.326 -0.013 -0.838 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -0.513 -0.796 -1.647 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.066 -1.833 -2.411 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.446 -2.065 -2.345 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.250 -1.269 -1.520 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.709 -0.229 -0.751 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.788 -0.398 -1.554 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 3.236 0.384 -0.107 0.00 0.00 -0.258 N ATOM 11 C LIG 1 2.094 1.285 -0.275 0.00 0.00 +0.151 C ATOM 12 C LIG 1 2.537 2.209 -1.406 0.00 0.00 +0.077 C ATOM 13 C LIG 1 4.021 2.334 -1.185 0.00 0.00 +0.254 C ATOM 14 F LIG 1 4.629 2.676 -2.350 0.00 0.00 -0.236 F ATOM 15 C LIG 1 4.402 0.973 -0.646 0.00 0.00 +0.255 C ATOM 16 O LIG 1 5.552 0.558 -0.620 0.00 0.00 -0.272 OA BRANCH 10 21 ATOM 17 C LIG 1 3.228 -3.212 2.213 0.00 0.00 +0.155 A ATOM 18 C LIG 1 4.276 -2.910 1.344 0.00 0.00 +0.167 A ATOM 19 F LIG 1 5.306 -3.760 1.217 0.00 0.00 -0.202 F ATOM 20 C LIG 1 4.284 -1.738 0.585 0.00 0.00 +0.065 A ATOM 21 C LIG 1 3.235 -0.816 0.669 0.00 0.00 +0.040 A ATOM 22 C LIG 1 2.186 -1.126 1.547 0.00 0.00 +0.027 A ATOM 23 C LIG 1 2.177 -2.306 2.310 0.00 0.00 +0.050 A BRANCH 17 25 ATOM 24 C LIG 1 2.244 -4.763 3.727 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.337 -4.388 2.901 0.00 0.00 -0.492 OA ENDBRANCH 17 25 ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 C LIG 1 -3.045 -3.131 -3.121 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -2.965 -3.251 -4.492 0.00 0.00 +0.142 A ATOM 28 C LIG 1 -2.330 -2.470 -5.571 0.00 0.00 +0.090 C ATOM 29 O LIG 1 -3.656 -4.356 -4.884 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 -4.208 -4.976 -3.780 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 -3.835 -4.242 -2.725 0.00 0.00 +0.088 A ATOM 32 C LIG 1 -4.251 -4.644 -1.361 0.00 0.00 +0.070 C ENDBRANCH 6 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.909 1.957 0.657 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -0.511 3.378 0.236 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -1.149 4.420 1.155 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -0.810 4.167 2.630 0.00 0.00 +0.118 C ATOM 37 C LIG 1 -1.185 2.737 3.038 0.00 0.00 +0.033 C ATOM 38 C LIG 1 -0.558 1.686 2.125 0.00 0.00 +0.027 C BRANCH 36 39 ATOM 39 O LIG 1 -1.549 5.045 3.480 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -1.029 6.367 3.532 0.00 0.00 +0.194 C ENDBRANCH 36 39 ENDBRANCH 2 33 TORSDOF 6