REMARK Name = BDB053187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.878 0.603 0.620 0.00 0.00 +0.017 C ATOM 2 C LIG 1 -4.263 -0.108 -0.610 0.00 0.00 +0.008 C ATOM 3 C LIG 1 -2.708 0.087 -0.674 0.00 0.00 +0.004 C ATOM 4 C LIG 1 -2.244 1.564 -0.787 0.00 0.00 +0.005 C ATOM 5 C LIG 1 -0.713 1.712 -0.844 0.00 0.00 +0.008 C ATOM 6 C LIG 1 -0.031 1.026 0.348 0.00 0.00 -0.018 C ATOM 7 C LIG 1 -0.475 -0.457 0.356 0.00 0.00 -0.001 C ATOM 8 C LIG 1 0.454 -1.091 1.383 0.00 0.00 +0.005 C ATOM 9 C LIG 1 1.790 -0.355 1.171 0.00 0.00 +0.013 C ATOM 10 C LIG 1 1.509 0.817 0.196 0.00 0.00 +0.081 C ATOM 11 C LIG 1 -0.389 1.770 1.664 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -1.989 -0.643 0.512 0.00 0.00 -0.003 C ATOM 13 C LIG 1 -2.370 -2.131 0.582 0.00 0.00 +0.006 C ATOM 14 C LIG 1 -3.882 -2.349 0.600 0.00 0.00 +0.023 C ATOM 15 C LIG 1 -4.528 -1.649 -0.593 0.00 0.00 +0.083 C ATOM 16 N LIG 1 -5.942 -1.947 -0.716 0.00 0.00 -0.308 N ATOM 17 H LIG 1 -6.295 -2.854 -0.439 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -6.676 -1.369 -1.720 0.00 0.00 +0.237 C ATOM 19 O LIG 1 -7.748 -1.824 -2.095 0.00 0.00 -0.271 OA ATOM 20 C LIG 1 -6.091 -0.149 -2.336 0.00 0.00 +0.063 C ATOM 21 C LIG 1 -4.994 0.442 -1.832 0.00 0.00 -0.013 C ENDROOT BRANCH 10 22 ATOM 22 C LIG 1 2.384 2.051 0.427 0.00 0.00 +0.221 C ATOM 23 N LIG 1 3.741 1.958 0.566 0.00 0.00 -0.285 N ATOM 24 H LIG 1 4.106 2.829 0.951 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 1.901 3.182 0.515 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 4.688 0.974 0.224 0.00 0.00 +0.046 A ATOM 27 C LIG 1 5.931 0.953 0.887 0.00 0.00 +0.076 A ATOM 28 C LIG 1 6.888 -0.020 0.535 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.637 -0.940 -0.480 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.423 -0.904 -1.170 0.00 0.00 +0.057 A ATOM 31 C LIG 1 4.468 0.068 -0.820 0.00 0.00 +0.036 A BRANCH 27 32 ATOM 32 C LIG 1 6.252 1.892 2.026 0.00 0.00 +0.419 C ATOM 33 F LIG 1 7.588 2.069 2.220 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.755 1.453 3.214 0.00 0.00 -0.166 F ATOM 35 F LIG 1 5.740 3.144 1.845 0.00 0.00 -0.166 F ENDBRANCH 27 32 BRANCH 30 36 ATOM 36 C LIG 1 5.152 -1.858 -2.309 0.00 0.00 +0.417 C ATOM 37 F LIG 1 5.473 -1.323 -3.518 0.00 0.00 -0.166 F ATOM 38 F LIG 1 5.852 -3.022 -2.212 0.00 0.00 -0.166 F ATOM 39 F LIG 1 3.841 -2.218 -2.393 0.00 0.00 -0.166 F ENDBRANCH 30 36 ENDBRANCH 23 26 ENDBRANCH 10 22 TORSDOF 4