REMARK Name = BDB019943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.970 1.552 0.393 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.734 1.553 1.053 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.226 0.571 0.779 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.058 -0.446 -0.142 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.291 -0.472 -0.812 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.233 0.533 -0.537 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.662 4.387 -0.543 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.853 3.919 0.250 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.983 2.578 0.684 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -4.128 2.211 1.420 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -5.115 3.146 1.734 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -4.964 4.458 1.315 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -5.906 5.361 1.619 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.850 4.852 0.584 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 1.520 0.625 1.514 0.00 0.00 +0.245 C ATOM 16 N LIG 1 2.615 0.108 0.855 0.00 0.00 -0.305 N ATOM 17 H LIG 1 2.545 -0.053 -0.140 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.579 1.140 2.623 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.950 0.194 1.429 0.00 0.00 +0.100 C ATOM 20 C LIG 1 4.134 -0.798 2.582 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 4.987 -0.012 0.335 0.00 0.00 -0.027 A ATOM 22 C LIG 1 5.150 -1.256 -0.303 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.101 -1.429 -1.324 0.00 0.00 +0.090 A ATOM 24 C LIG 1 6.883 -0.341 -1.700 0.00 0.00 +0.135 A ATOM 25 F LIG 1 7.795 -0.477 -2.671 0.00 0.00 -0.205 F ATOM 26 C LIG 1 6.734 0.899 -1.089 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.788 1.065 -0.077 0.00 0.00 +0.008 A BRANCH 23 28 ATOM 28 C LIG 1 6.294 -2.743 -2.019 0.00 0.00 +0.420 C ATOM 29 F LIG 1 6.071 -2.671 -3.360 0.00 0.00 -0.166 F ATOM 30 F LIG 1 7.547 -3.251 -1.863 0.00 0.00 -0.166 F ATOM 31 F LIG 1 5.447 -3.712 -1.562 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 C LIG 1 -1.614 -1.579 -1.793 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -2.642 -2.458 -1.279 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -4.001 -2.415 -1.618 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -4.621 -1.660 -2.451 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -3.968 -1.027 -2.907 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -4.583 -3.405 -0.821 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -6.006 -3.629 -0.758 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.626 -3.982 -0.004 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -2.445 -3.415 -0.285 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 7