REMARK Name = BDB057973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.107 -1.192 -1.060 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.311 -0.163 -0.202 0.00 0.00 -0.011 A ATOM 3 C LIG 1 -0.641 0.637 0.454 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -2.028 0.442 0.285 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -3.031 1.349 1.033 0.00 0.00 +0.031 C ATOM 6 C LIG 1 -4.447 0.954 0.695 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -4.843 -0.061 -0.152 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -3.884 -0.898 -0.843 0.00 0.00 +0.196 C ATOM 9 O LIG 1 -4.215 -1.805 -1.599 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 -6.267 -0.076 -0.175 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -6.701 0.946 0.672 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -8.058 1.221 0.892 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -9.002 0.426 0.224 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -8.595 -0.602 -0.629 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -7.234 -0.861 -0.835 0.00 0.00 +0.012 A ATOM 16 N LIG 1 -5.579 1.555 1.187 0.00 0.00 -0.357 N ATOM 17 H LIG 1 -5.598 2.333 1.833 0.00 0.00 +0.166 HD ATOM 18 C LIG 1 -2.810 2.819 0.615 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -2.823 1.202 2.557 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -2.440 -0.596 -0.581 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -1.486 -1.392 -1.241 0.00 0.00 +0.016 A ENDROOT BRANCH 2 22 ATOM 22 C LIG 1 1.708 0.125 0.034 0.00 0.00 +0.020 A ATOM 23 C LIG 1 2.500 -0.550 0.936 0.00 0.00 +0.116 A ATOM 24 N LIG 1 3.732 0.039 0.869 0.00 0.00 -0.271 N ATOM 25 N LIG 1 3.781 1.074 0.007 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 2.546 1.124 -0.498 0.00 0.00 +0.142 A BRANCH 24 27 ATOM 27 C LIG 1 4.909 -0.340 1.632 0.00 0.00 +0.144 C BRANCH 27 28 ATOM 28 C LIG 1 5.718 -1.451 0.961 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 6.565 -0.959 -0.220 0.00 0.00 +0.085 C BRANCH 29 30 ATOM 30 N LIG 1 7.607 -0.002 0.189 0.00 0.00 -0.308 NA ATOM 31 C LIG 1 8.059 0.774 -0.970 0.00 0.00 +0.104 C ATOM 32 C LIG 1 8.752 -0.670 0.812 0.00 0.00 +0.104 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 2 22 BRANCH 1 34 ATOM 33 C LIG 1 1.216 -1.469 -3.181 0.00 0.00 +0.009 C ATOM 34 C LIG 1 0.853 -2.070 -1.831 0.00 0.00 +0.032 C ENDBRANCH 1 34 BRANCH 13 35 ATOM 35 C LIG 1 -10.401 0.676 0.423 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -11.530 0.884 0.590 0.00 0.00 -0.191 NA ENDBRANCH 13 35 TORSDOF 7