REMARK Name = BDB008923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.751 -0.665 1.201 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.700 -0.862 2.586 0.00 0.00 +0.145 A ATOM 3 F LIG 1 1.709 -0.427 3.357 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -0.372 -1.510 3.189 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.427 -1.968 2.403 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.417 -1.767 1.013 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -0.310 -1.128 0.420 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 1.542 -0.014 -1.615 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 2.210 0.265 -0.624 0.00 0.00 +0.231 C ATOM 10 N LIG 1 1.884 -0.004 0.691 0.00 0.00 -0.282 N ATOM 11 H LIG 1 2.602 0.261 1.365 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 3.524 1.050 -0.750 0.00 0.00 +0.181 C BRANCH 12 13 ATOM 13 N LIG 1 4.495 0.667 0.308 0.00 0.00 -0.290 NA ATOM 14 C LIG 1 5.010 -0.709 0.069 0.00 0.00 +0.113 C ATOM 15 C LIG 1 6.400 -0.920 0.690 0.00 0.00 +0.175 C ATOM 16 O LIG 1 7.399 -0.077 0.102 0.00 0.00 -0.377 OA ATOM 17 C LIG 1 6.874 1.162 -0.393 0.00 0.00 +0.175 C ATOM 18 C LIG 1 5.622 1.628 0.367 0.00 0.00 +0.113 C ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 C LIG 1 -2.562 -2.294 0.173 0.00 0.00 +0.092 C BRANCH 19 20 ATOM 20 C LIG 1 -3.048 -1.331 -0.907 0.00 0.00 +0.069 A ATOM 21 C LIG 1 -3.954 -0.199 -0.537 0.00 0.00 -0.016 A ATOM 22 C LIG 1 -4.389 0.012 0.886 0.00 0.00 +0.037 C ATOM 23 C LIG 1 -5.061 1.368 1.125 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -6.028 1.712 -0.001 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.306 1.753 -1.349 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -4.358 0.601 -1.539 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.879 0.363 -2.924 0.00 0.00 +0.268 A ATOM 28 O LIG 1 -4.206 1.092 -3.855 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -3.060 -0.719 -3.095 0.00 0.00 -0.243 N ATOM 30 H LIG 1 -2.707 -0.893 -4.030 0.00 0.00 +0.192 HD ATOM 31 N LIG 1 -2.641 -1.567 -2.119 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 5