REMARK Name = BDB028010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.054 0.214 -0.619 0.00 0.00 +0.052 A ATOM 2 C LIG 1 3.911 0.020 -1.402 0.00 0.00 +0.027 A ATOM 3 C LIG 1 2.631 0.058 -0.824 0.00 0.00 -0.016 A ATOM 4 C LIG 1 2.503 0.294 0.562 0.00 0.00 -0.014 A ATOM 5 C LIG 1 1.221 0.331 1.135 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.072 0.146 0.360 0.00 0.00 +0.122 A ATOM 7 C LIG 1 0.203 -0.095 -1.005 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.657 0.487 1.337 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.472 -0.136 -1.593 0.00 0.00 +0.012 A ATOM 10 C LIG 1 4.925 0.448 0.752 0.00 0.00 +0.019 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 7.404 0.137 -1.715 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 6.353 0.172 -1.223 0.00 0.00 +0.099 C ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 O LIG 1 -1.097 0.200 1.064 0.00 0.00 -0.480 OA BRANCH 13 14 ATOM 14 C LIG 1 -2.326 0.316 0.354 0.00 0.00 +0.259 C ATOM 15 C LIG 1 -3.299 1.152 1.197 0.00 0.00 +0.260 C ATOM 16 O LIG 1 -2.950 2.006 2.009 0.00 0.00 -0.271 OA ATOM 17 N LIG 1 -4.639 0.928 0.972 0.00 0.00 -0.253 N ATOM 18 H LIG 1 -5.275 1.487 1.525 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -5.213 -0.082 0.242 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -6.431 -0.228 0.205 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.271 -0.957 -0.549 0.00 0.00 +0.100 C ATOM 22 C LIG 1 -2.924 -1.073 0.141 0.00 0.00 +0.063 C ENDBRANCH 13 14 ENDBRANCH 6 13 TORSDOF 3