REMARK Name = BDB012383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.922 -0.608 -0.955 0.00 0.00 -0.182 N ATOM 2 C LIG 1 -1.683 0.032 -1.065 0.00 0.00 +0.220 A ATOM 3 C LIG 1 -0.928 -0.755 -1.912 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -1.762 -1.818 -2.280 0.00 0.00 +0.138 A ATOM 5 N LIG 1 -2.967 -1.739 -1.724 0.00 0.00 -0.170 NA ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 -6.307 -0.614 0.559 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -5.206 -0.998 -0.211 0.00 0.00 +0.063 A ATOM 8 C LIG 1 -4.056 -0.214 -0.167 0.00 0.00 +0.158 A ATOM 9 N LIG 1 -3.979 0.905 0.603 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -5.058 1.251 1.335 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -6.236 0.531 1.349 0.00 0.00 +0.035 A BRANCH 6 13 ATOM 12 O LIG 1 -7.675 -2.459 -0.156 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 -7.527 -1.451 0.507 0.00 0.00 +0.337 C BRANCH 13 14 ATOM 14 O LIG 1 -8.512 -0.982 1.294 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 -9.241 -1.624 1.161 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -1.427 1.170 -0.407 0.00 0.00 -0.471 OA BRANCH 16 17 ATOM 17 C LIG 1 -0.126 1.742 -0.544 0.00 0.00 +0.266 C BRANCH 17 18 ATOM 18 C LIG 1 0.907 1.072 0.337 0.00 0.00 -0.007 A ATOM 19 C LIG 1 2.232 0.929 -0.113 0.00 0.00 +0.054 A ATOM 20 C LIG 1 3.208 0.333 0.696 0.00 0.00 +0.139 A ATOM 21 C LIG 1 2.843 -0.114 1.976 0.00 0.00 +0.083 A ATOM 22 CL LIG 1 3.993 -0.861 3.031 0.00 0.00 -0.080 Cl ATOM 23 C LIG 1 1.535 0.037 2.439 0.00 0.00 +0.024 A ATOM 24 C LIG 1 0.573 0.633 1.625 0.00 0.00 +0.008 A BRANCH 20 25 ATOM 25 O LIG 1 4.515 0.148 0.331 0.00 0.00 -0.490 OA BRANCH 25 26 ATOM 26 C LIG 1 4.930 0.605 -0.954 0.00 0.00 +0.232 C BRANCH 26 27 ATOM 27 C LIG 1 6.390 0.322 -1.171 0.00 0.00 +0.027 C ATOM 28 C LIG 1 7.045 -0.927 -0.637 0.00 0.00 +0.007 C ATOM 29 C LIG 1 7.393 0.415 -0.048 0.00 0.00 +0.007 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 TORSDOF 9