REMARK Name = BDB006983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.320 -1.639 -1.202 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.514 -1.694 -2.329 0.00 0.00 -0.268 N ATOM 3 C LIG 1 0.438 -0.799 -2.846 0.00 0.00 +0.058 A ATOM 4 C LIG 1 1.110 -1.368 -3.923 0.00 0.00 +0.070 A ATOM 5 N LIG 1 2.112 -0.779 -4.610 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 2.455 0.460 -4.187 0.00 0.00 +0.115 A ATOM 7 C LIG 1 1.838 1.132 -3.128 0.00 0.00 -0.023 A ATOM 8 C LIG 1 0.612 -2.772 -4.202 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.677 -3.800 -3.807 0.00 0.00 +0.019 C ATOM 10 C LIG 1 0.200 -2.952 -5.662 0.00 0.00 +0.019 C ATOM 11 C LIG 1 0.774 0.488 -2.478 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -0.609 -2.838 -3.254 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -2.213 -2.477 -1.038 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.041 -0.525 -0.180 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -0.657 -3.291 3.921 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.301 -2.039 3.329 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -0.875 -0.851 4.098 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -0.105 -1.079 4.725 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -0.470 0.247 3.214 0.00 0.00 +0.102 C ATOM 20 C LIG 1 -1.426 0.466 2.012 0.00 0.00 +0.092 C ATOM 21 N LIG 1 -1.606 -0.759 1.171 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.016 -1.957 1.802 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -2.818 0.948 2.466 0.00 0.00 +0.163 C BRANCH 23 24 ATOM 24 N LIG 1 -2.775 2.235 3.141 0.00 0.00 -0.267 N ATOM 25 N LIG 1 -2.469 3.353 2.438 0.00 0.00 -0.177 NA ATOM 26 C LIG 1 -2.540 4.328 3.351 0.00 0.00 +0.172 A ATOM 27 C LIG 1 -2.867 3.823 4.610 0.00 0.00 +0.161 A ATOM 28 F LIG 1 -3.003 4.516 5.744 0.00 0.00 -0.202 F ATOM 29 C LIG 1 -3.010 2.473 4.466 0.00 0.00 +0.146 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 2.279 2.519 -2.720 0.00 0.00 +0.071 C BRANCH 30 31 ATOM 31 C LIG 1 2.372 2.710 -1.217 0.00 0.00 -0.043 A ATOM 32 C LIG 1 3.409 2.110 -0.486 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.459 2.235 0.903 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.475 2.957 1.576 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.439 3.557 0.861 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.389 3.439 -0.529 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6