REMARK Name = BDB006428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.399 -2.903 -2.513 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.021 -2.170 -1.272 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.757 -1.116 -0.646 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.038 -0.707 0.479 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.489 0.337 1.307 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.698 0.963 0.989 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.445 0.559 -0.118 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.103 -1.490 0.540 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.976 -0.468 -0.950 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.117 -2.390 -0.509 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.218 -3.373 -0.722 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.729 1.260 -0.395 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.707 0.508 -1.013 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.583 -0.492 -1.069 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.883 2.424 -0.045 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.054 1.031 -1.210 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -6.705 0.334 -2.405 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.924 0.883 0.025 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -7.952 1.812 0.246 0.00 0.00 +0.131 A ATOM 20 F LIG 1 -8.152 2.805 -0.632 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -8.793 1.725 1.350 0.00 0.00 +0.077 A ATOM 22 C LIG 1 -8.611 0.687 2.250 0.00 0.00 +0.126 A ATOM 23 F LIG 1 -9.415 0.589 3.317 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -7.611 -0.260 2.059 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -6.771 -0.167 0.946 0.00 0.00 +0.011 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.115 -1.403 1.594 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.390 -0.734 1.139 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.379 0.520 0.515 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.574 1.134 0.123 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.815 0.521 0.353 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.820 -0.727 0.993 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.627 -1.345 1.385 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.070 1.168 -0.062 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.258 1.601 -1.386 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.449 2.214 -1.782 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.475 2.407 -0.860 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.310 1.986 0.457 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.118 1.372 0.852 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6