REMARK Name = BDB027009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.307 -0.662 -0.743 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -2.310 -1.117 -1.307 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.197 -0.556 -0.564 0.00 0.00 +0.004 A ATOM 4 C LIG 1 3.629 -1.612 -1.290 0.00 0.00 +0.036 A ATOM 5 C LIG 1 2.232 -1.701 -1.383 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.361 -0.785 -0.783 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.018 -1.208 -1.094 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.145 -2.346 -1.879 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.953 0.278 -0.067 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.468 -2.633 -2.039 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.841 -3.411 -2.567 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.352 0.379 0.038 0.00 0.00 +0.011 A BRANCH 3 16 ATOM 13 C LIG 1 8.840 0.837 0.529 0.00 0.00 +0.150 C ATOM 14 N LIG 1 7.687 0.144 0.015 0.00 0.00 -0.339 N ATOM 15 C LIG 1 6.379 0.483 0.220 0.00 0.00 +0.115 A ATOM 16 C LIG 1 5.648 -0.467 -0.466 0.00 0.00 +0.089 A ATOM 17 N LIG 1 6.501 -1.366 -1.076 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 7.715 -0.971 -0.767 0.00 0.00 +0.199 A ENDBRANCH 3 16 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 -1.442 0.478 0.301 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.010 0.125 1.720 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -0.995 -1.194 2.202 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -0.597 -1.469 3.512 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -0.222 -0.431 4.363 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.254 0.884 3.909 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.649 1.161 2.600 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -2.795 1.115 0.257 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.051 1.191 -0.732 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.848 0.335 0.925 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.244 0.937 0.676 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.680 0.995 -0.773 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.142 2.204 -1.317 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.558 2.272 -2.648 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -6.519 1.130 -3.445 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -7.029 1.214 -5.086 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -6.072 -0.079 -2.919 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.659 -0.147 -1.586 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8