REMARK Name = BDB009959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.355 -0.181 -1.812 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.163 -0.896 -1.704 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.447 -1.407 -2.837 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.600 -2.062 -2.533 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.734 -1.988 -1.222 0.00 0.00 +0.144 A ATOM 6 N LIG 1 0.042 -1.284 -4.079 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.202 -0.625 -4.101 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.657 -1.309 -0.672 0.00 0.00 -0.315 N ATOM 9 N LIG 1 1.877 -0.077 -3.052 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.837 -2.613 -0.486 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -3.152 -3.954 -0.744 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.202 -4.586 -0.069 0.00 0.00 +0.019 A ATOM 13 C LIG 1 -4.958 -3.877 0.867 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -4.665 -2.532 1.115 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -3.615 -1.902 0.438 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 C LIG 1 -6.034 -4.520 1.563 0.00 0.00 +0.099 C ATOM 17 N LIG 1 -6.900 -5.037 2.136 0.00 0.00 -0.191 NA ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 18 ATOM 18 N LIG 1 2.000 0.391 -0.726 0.00 0.00 -0.324 N ATOM 19 H LIG 1 1.359 0.708 -0.009 0.00 0.00 +0.148 HD BRANCH 18 21 ATOM 20 C LIG 1 4.408 0.587 -1.081 0.00 0.00 +0.028 C ATOM 21 C LIG 1 3.085 1.343 -0.967 0.00 0.00 +0.072 C BRANCH 21 22 ATOM 22 C LIG 1 3.038 2.369 0.147 0.00 0.00 +0.009 C ATOM 23 C LIG 1 3.277 1.989 1.591 0.00 0.00 +0.005 C ATOM 24 C LIG 1 4.253 2.888 0.884 0.00 0.00 +0.005 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 18 BRANCH 7 25 ATOM 25 C LIG 1 1.884 -0.443 -5.431 0.00 0.00 +0.375 C ATOM 26 O LIG 1 1.472 -0.816 -6.515 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 3.067 0.219 -5.271 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 3.201 0.415 -4.315 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 -0.346 -1.219 0.750 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -0.631 0.129 1.381 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.169 0.346 2.690 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.380 1.567 3.336 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.069 2.602 2.692 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -1.534 2.391 1.387 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.324 1.168 0.742 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -1.272 3.933 3.376 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -2.398 4.579 2.965 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.375 3.826 4.729 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.240 4.790 3.144 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 10