REMARK Name = BDB010983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.643 0.032 -1.166 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.797 1.171 -1.141 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.462 0.895 -0.812 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.030 -0.445 -0.533 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.306 -0.372 -0.246 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -0.650 0.964 -0.355 0.00 0.00 -0.221 N ATOM 7 C LIG 1 1.808 -1.606 -0.544 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.422 1.730 -0.702 0.00 0.00 -0.165 NA ATOM 9 C LIG 1 3.154 -1.291 -0.881 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.944 1.560 -0.159 0.00 0.00 +0.154 A ATOM 11 N LIG 1 -2.054 2.905 -0.301 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -3.264 3.460 -0.109 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -4.395 2.732 0.213 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -4.324 1.335 0.355 0.00 0.00 -0.029 A ATOM 15 C LIG 1 -3.049 0.763 0.160 0.00 0.00 +0.052 A BRANCH 14 16 ATOM 16 C LIG 1 -5.634 0.478 0.708 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.481 -0.997 1.225 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.626 -0.725 2.229 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -6.485 -1.348 3.603 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.274 0.776 2.115 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -6.682 0.586 -0.485 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.511 0.204 -1.789 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.351 -0.382 -2.400 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.674 0.512 -2.426 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.512 1.052 -1.573 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.885 1.105 -0.351 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 14 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 1.349 -2.998 -0.248 0.00 0.00 +0.418 C ATOM 28 F LIG 1 2.326 -3.936 -0.394 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.887 -3.138 1.026 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.329 -3.397 -1.058 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 5.113 0.223 -1.514 0.00 0.00 +0.119 C BRANCH 31 35 ATOM 32 C LIG 1 6.668 -1.799 0.773 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.013 -0.358 1.150 0.00 0.00 +0.000 C ATOM 34 C LIG 1 5.903 0.656 0.803 0.00 0.00 +0.088 C ATOM 35 N LIG 1 5.820 1.112 -0.590 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 7.131 1.526 -1.100 0.00 0.00 +0.085 C ATOM 37 C LIG 1 8.225 0.475 -0.916 0.00 0.00 +0.016 C ATOM 38 C LIG 1 8.357 0.074 0.550 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6