REMARK Name = BDB052263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.923 -0.470 1.331 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -3.534 -0.675 1.067 0.00 0.00 -0.032 A ATOM 3 C LIG 1 -3.050 -0.743 -0.361 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.654 -0.804 2.184 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -3.196 -0.831 3.467 0.00 0.00 +0.067 A ATOM 6 N LIG 1 -2.141 -1.035 4.312 0.00 0.00 -0.276 N ATOM 7 H LIG 1 -2.168 -1.122 5.321 0.00 0.00 +0.189 HD ATOM 8 N LIG 1 -0.955 -1.128 3.703 0.00 0.00 -0.173 NA ATOM 9 C LIG 1 -4.554 -0.677 3.743 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -1.238 -0.933 2.408 0.00 0.00 +0.093 A ATOM 11 C LIG 1 -5.399 -0.478 2.653 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -7.022 2.568 -2.062 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -6.940 1.232 -1.385 0.00 0.00 -0.048 A ATOM 14 C LIG 1 -5.983 0.999 -0.390 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -5.899 -0.246 0.250 0.00 0.00 -0.016 A ATOM 16 C LIG 1 -6.779 -1.268 -0.144 0.00 0.00 +0.031 A ATOM 17 C LIG 1 -7.688 -1.079 -1.188 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -7.791 0.187 -1.770 0.00 0.00 +0.026 A BRANCH 17 19 ATOM 19 N LIG 1 -8.626 -2.074 -1.495 0.00 0.00 -0.358 N ATOM 20 H LIG 1 -8.305 -3.014 -1.288 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 -9.013 -1.996 -2.430 0.00 0.00 +0.142 HD ENDBRANCH 17 19 ENDBRANCH 1 15 BRANCH 10 22 ATOM 22 C LIG 1 -0.187 -0.874 1.440 0.00 0.00 +0.031 C ATOM 23 C LIG 1 0.004 0.137 0.576 0.00 0.00 +0.010 C BRANCH 23 24 ATOM 24 C LIG 1 1.101 0.196 -0.400 0.00 0.00 -0.025 A ATOM 25 C LIG 1 2.399 -0.236 -0.097 0.00 0.00 +0.012 A ATOM 26 C LIG 1 3.435 -0.142 -1.043 0.00 0.00 -0.033 A ATOM 27 C LIG 1 3.154 0.395 -2.305 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.870 0.844 -2.611 0.00 0.00 +0.001 A ATOM 29 C LIG 1 0.851 0.749 -1.661 0.00 0.00 +0.008 A BRANCH 26 30 ATOM 30 C LIG 1 4.830 -0.639 -0.711 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.376 -0.037 0.520 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 6.543 -0.802 0.997 0.00 0.00 +0.100 C ATOM 33 C LIG 1 7.806 -0.731 0.097 0.00 0.00 +0.099 C ATOM 34 N LIG 1 7.874 0.467 -0.762 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 9.242 0.744 -1.182 0.00 0.00 +0.105 C ATOM 36 C LIG 1 7.264 1.617 -0.083 0.00 0.00 +0.099 C ATOM 37 C LIG 1 5.779 1.373 0.306 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 10 22 TORSDOF 6