REMARK Name = BDB006502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.477 -3.167 -2.135 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.076 -2.299 -0.993 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.784 -1.160 -0.498 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.051 -0.634 0.569 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.473 0.512 1.265 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.668 1.123 0.875 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.430 0.607 -0.173 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.072 -1.432 0.721 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.988 -0.524 -0.875 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.060 -2.453 -0.211 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.137 -3.481 -0.305 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.698 1.300 -0.531 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.696 0.504 -1.056 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.595 -0.498 -0.994 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.824 2.500 -0.320 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.029 1.032 -1.318 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -6.696 0.211 -2.421 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.902 1.058 -0.078 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -7.928 2.009 0.009 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -8.123 2.871 -1.000 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -8.764 2.062 1.120 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -9.743 2.975 1.183 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -8.604 1.166 2.170 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -7.597 0.204 2.101 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -6.755 0.146 0.984 0.00 0.00 +0.008 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.091 -1.242 1.755 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.379 -0.663 1.220 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.395 0.506 0.448 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.601 1.038 -0.018 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.829 0.428 0.282 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.808 -0.733 1.068 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.603 -1.270 1.534 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.097 0.990 -0.212 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.287 1.255 -1.579 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.491 1.787 -2.050 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.526 2.065 -1.160 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.358 1.811 0.199 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.154 1.277 0.667 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6