REMARK Name = BDB065264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.008 0.595 0.319 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.251 0.180 -0.075 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.212 -1.205 0.044 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.342 -1.972 -0.274 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.505 -1.321 -0.707 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.525 0.074 -0.822 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.012 -1.623 0.484 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.402 0.852 -0.509 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.744 -0.537 0.635 0.00 0.00 +0.132 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -2.180 -0.534 1.098 0.00 0.00 +0.154 C ATOM 11 N LIG 1 -2.810 -1.823 0.847 0.00 0.00 -0.256 N ATOM 12 C LIG 1 -2.763 -2.616 2.018 0.00 0.00 +0.290 C ATOM 13 O LIG 1 -3.156 -3.766 2.168 0.00 0.00 -0.269 OA ATOM 14 C LIG 1 -2.141 -1.767 3.121 0.00 0.00 +0.325 C ATOM 15 F LIG 1 -2.783 -1.861 4.318 0.00 0.00 -0.195 F ATOM 16 F LIG 1 -0.835 -2.050 3.361 0.00 0.00 -0.195 F ATOM 17 C LIG 1 -2.282 -0.354 2.602 0.00 0.00 +0.116 C BRANCH 11 18 ATOM 18 C LIG 1 -3.293 -2.227 -0.432 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -3.170 -1.383 -1.549 0.00 0.00 +0.064 A ATOM 20 C LIG 1 -3.650 -1.773 -2.800 0.00 0.00 +0.160 A ATOM 21 F LIG 1 -3.515 -0.937 -3.838 0.00 0.00 -0.202 F ATOM 22 C LIG 1 -4.261 -3.004 -2.970 0.00 0.00 +0.159 A ATOM 23 F LIG 1 -4.725 -3.372 -4.172 0.00 0.00 -0.202 F ATOM 24 C LIG 1 -4.396 -3.861 -1.890 0.00 0.00 +0.043 A ATOM 25 C LIG 1 -3.916 -3.472 -0.631 0.00 0.00 +0.026 A ENDBRANCH 11 18 ENDBRANCH 9 10 BRANCH 5 26 ATOM 26 C LIG 1 4.687 -2.087 -1.041 0.00 0.00 +0.047 A ATOM 27 C LIG 1 5.345 -2.941 -0.182 0.00 0.00 +0.142 A ATOM 28 C LIG 1 5.149 -3.374 1.214 0.00 0.00 +0.090 C ATOM 29 O LIG 1 6.421 -3.475 -0.822 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 6.494 -2.977 -2.109 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 5.448 -2.150 -2.239 0.00 0.00 +0.088 A ATOM 32 C LIG 1 5.213 -1.449 -3.522 0.00 0.00 +0.070 C ENDBRANCH 5 26 BRANCH 1 36 ATOM 33 C LIG 1 -1.103 4.726 0.410 0.00 0.00 +0.118 C ATOM 34 C LIG 1 -1.234 4.018 -0.948 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -0.550 2.644 -0.999 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -0.483 1.976 0.380 0.00 0.00 +0.089 C ATOM 37 C LIG 1 0.279 2.833 1.409 0.00 0.00 +0.027 C ATOM 38 C LIG 1 0.204 4.334 1.103 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 -3.328 5.151 1.144 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -2.178 4.322 1.269 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5