REMARK Name = BDB009984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.817 -1.359 0.700 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.518 -0.871 0.656 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.277 -1.843 0.083 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.618 -2.846 -0.253 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.290 -3.977 -0.896 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.019 -4.014 -1.202 0.00 0.00 +0.242 A ATOM 7 N LIG 1 1.964 -3.097 -0.917 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.625 -1.984 -0.238 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.884 -2.553 0.145 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.933 -0.037 0.396 0.00 0.00 -0.037 A ATOM 11 C LIG 1 -2.969 -0.632 1.242 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -3.108 -0.549 2.639 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -4.174 0.145 3.219 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -4.332 0.196 4.709 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -5.129 0.726 2.384 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.013 0.632 0.994 0.00 0.00 +0.004 A BRANCH 10 18 ATOM 17 C LIG 1 -4.653 0.782 -1.957 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -3.818 -0.175 -1.113 0.00 0.00 +0.032 C ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 1.450 -5.251 -1.943 0.00 0.00 +0.375 C ATOM 20 O LIG 1 2.584 -5.508 -2.309 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 0.392 -6.082 -2.161 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -0.431 -5.689 -1.785 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 2.590 -1.040 0.094 0.00 0.00 -0.324 N ATOM 24 H LIG 1 2.522 -0.762 1.066 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.981 -1.300 -0.310 0.00 0.00 +0.072 C ATOM 26 C LIG 1 4.655 -2.227 0.702 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.689 0.057 -0.438 0.00 0.00 +0.009 C ATOM 28 C LIG 1 4.961 0.941 0.814 0.00 0.00 +0.005 C ATOM 29 C LIG 1 6.215 1.460 0.078 0.00 0.00 +0.001 C ATOM 30 C LIG 1 6.220 0.131 -0.707 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.111 0.458 1.093 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 -0.400 1.518 0.058 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -1.404 2.471 0.284 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -1.690 3.445 -0.676 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.971 3.497 -1.877 0.00 0.00 +0.055 A ATOM 36 C LIG 1 0.036 2.548 -2.101 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.323 1.574 -1.141 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -1.304 4.530 -2.925 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -1.715 5.715 -2.391 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.251 4.835 -3.734 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.307 4.124 -3.751 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10