REMARK Name = BDB006437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.120 -1.039 -5.512 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.135 -0.157 -4.339 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.701 -0.013 -3.188 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.096 0.914 -2.338 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.672 1.289 -1.112 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.885 0.699 -0.741 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.502 -0.244 -1.566 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.079 1.319 -2.949 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.927 -0.592 -2.796 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.231 0.676 -4.163 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.398 0.901 -5.064 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.786 -0.890 -1.184 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.977 -1.101 0.164 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.201 -0.961 0.795 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.587 -1.232 -2.046 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.165 -1.768 0.678 0.00 0.00 +0.102 C ATOM 17 C LIG 1 -5.114 -3.280 0.414 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.323 -1.457 2.160 0.00 0.00 -0.009 A ATOM 19 C LIG 1 -6.352 -0.636 2.657 0.00 0.00 +0.046 A ATOM 20 CL LIG 1 -7.544 0.088 1.637 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -6.450 -0.366 4.028 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -5.527 -0.901 4.924 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.498 -1.708 4.452 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.396 -1.980 3.086 0.00 0.00 +0.007 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 1.986 2.328 -2.397 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 2.781 1.840 -1.207 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.000 2.702 -0.123 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.759 2.290 0.978 0.00 0.00 +0.009 A ATOM 29 C LIG 1 4.333 1.011 1.026 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.125 0.159 -0.069 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.367 0.568 -1.172 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 5.130 0.579 2.185 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.430 0.070 2.022 0.00 0.00 +0.008 A ATOM 34 C LIG 1 7.188 -0.340 3.122 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.659 -0.248 4.407 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.372 0.253 4.592 0.00 0.00 +0.001 A ATOM 37 C LIG 1 4.616 0.662 3.490 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 6