REMARK Name = BDB060407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.821 0.516 1.273 0.00 0.00 +0.031 A ATOM 2 C LIG 1 -1.429 -0.448 0.341 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.093 -0.563 -0.064 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.888 0.288 0.453 0.00 0.00 -0.002 A ATOM 5 C LIG 1 0.501 1.263 1.379 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -0.836 1.374 1.781 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.281 0.159 0.024 0.00 0.00 +0.047 A ATOM 8 N LIG 1 3.351 0.358 0.870 0.00 0.00 -0.354 N ATOM 9 H LIG 1 3.271 0.595 1.848 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 4.545 0.166 0.213 0.00 0.00 +0.048 A ATOM 11 C LIG 1 4.236 -0.183 -1.100 0.00 0.00 +0.000 A ATOM 12 C LIG 1 5.285 -0.446 -2.001 0.00 0.00 +0.011 A ATOM 13 C LIG 1 6.610 -0.353 -1.556 0.00 0.00 +0.012 A ATOM 14 C LIG 1 6.892 0.002 -0.234 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.862 0.266 0.681 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.818 -0.188 -1.204 0.00 0.00 +0.036 A BRANCH 14 17 ATOM 17 C LIG 1 8.310 0.079 0.210 0.00 0.00 +0.116 C ATOM 18 N LIG 1 8.729 0.958 1.063 0.00 0.00 -0.285 NA ATOM 19 H LIG 1 7.977 1.603 1.324 0.00 0.00 +0.188 HD BRANCH 17 20 ATOM 20 N LIG 1 9.228 -0.804 -0.274 0.00 0.00 -0.343 N ATOM 21 H LIG 1 10.080 -0.776 0.278 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 8.893 -1.748 -0.426 0.00 0.00 +0.144 HD ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 N LIG 1 -3.154 0.692 1.679 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -3.255 1.132 2.586 0.00 0.00 +0.152 HD BRANCH 23 28 ATOM 25 C LIG 1 -6.853 -0.214 -0.150 0.00 0.00 +0.014 A ATOM 26 C LIG 1 -5.732 0.020 -0.948 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -4.504 0.330 -0.353 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.375 0.420 1.038 0.00 0.00 +0.031 A ATOM 29 C LIG 1 -5.511 0.173 1.825 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -6.741 -0.143 1.240 0.00 0.00 +0.013 A BRANCH 25 33 ATOM 31 N LIG 1 -8.559 -0.059 -1.893 0.00 0.00 -0.285 NA ATOM 32 H LIG 1 -7.885 0.622 -2.254 0.00 0.00 +0.188 HD ATOM 33 C LIG 1 -8.162 -0.557 -0.766 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -9.001 -1.435 -0.147 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -8.554 -2.218 0.314 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -9.739 -1.730 -0.781 0.00 0.00 +0.144 HD ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 7