REMARK Name = BDB035900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.686 0.756 -3.930 0.00 0.00 +0.047 C ATOM 2 C LIG 1 1.910 0.708 -2.446 0.00 0.00 -0.007 A ATOM 3 C LIG 1 0.900 0.264 -1.579 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.123 0.222 -0.203 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.044 -0.243 0.691 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.237 -0.640 0.041 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.289 -0.558 -1.297 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.212 -0.290 1.904 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.356 0.617 0.326 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.380 1.059 -0.523 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -0.295 -0.122 -2.137 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.144 1.105 -1.907 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.395 -1.141 0.807 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.682 -0.613 0.600 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -4.800 -1.096 1.310 0.00 0.00 -0.003 A ATOM 16 C LIG 1 -4.597 -2.118 2.250 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.324 -2.641 2.475 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.231 -2.156 1.757 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.219 -0.547 1.078 0.00 0.00 +0.198 C ATOM 20 F LIG 1 -7.102 -1.142 1.950 0.00 0.00 -0.228 F BRANCH 19 21 ATOM 21 C LIG 1 -6.281 0.944 1.362 0.00 0.00 +0.175 A ATOM 22 N LIG 1 -6.356 1.990 0.471 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -6.383 1.983 -0.966 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.397 3.130 1.220 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -6.348 2.827 2.491 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.277 1.462 2.583 0.00 0.00 -0.131 NA ENDBRANCH 19 21 BRANCH 19 27 ATOM 27 C LIG 1 -6.669 -1.018 -0.308 0.00 0.00 +0.038 C ATOM 28 C LIG 1 -7.328 -2.371 -0.487 0.00 0.00 +0.008 C ATOM 29 C LIG 1 -8.138 -1.119 -0.662 0.00 0.00 +0.008 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.713 1.495 0.050 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.383 0.437 0.813 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.859 -0.691 0.004 0.00 0.00 +0.088 C ATOM 33 C LIG 1 7.376 -0.748 -0.244 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.840 0.320 -1.240 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.166 -0.672 1.074 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.357 -0.077 2.226 0.00 0.00 +0.016 C ATOM 37 C LIG 1 6.382 0.987 1.734 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6