REMARK Name = BDB036169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.162 -1.278 -0.380 0.00 0.00 -0.302 NA ATOM 2 C LIG 1 1.046 -0.683 0.376 0.00 0.00 +0.085 C ATOM 3 C LIG 1 0.072 0.042 -0.555 0.00 0.00 +0.025 C ATOM 4 C LIG 1 -0.445 -0.924 -1.626 0.00 0.00 +0.004 C ATOM 5 C LIG 1 -1.533 -0.334 -2.547 0.00 0.00 +0.115 C ATOM 6 N LIG 1 -2.509 -0.872 -1.623 0.00 0.00 -0.310 N ATOM 7 C LIG 1 -1.574 -1.885 -1.184 0.00 0.00 +0.115 C ATOM 8 C LIG 1 0.720 -1.574 -2.369 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.659 -2.248 -1.368 0.00 0.00 +0.085 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.816 -1.195 -2.075 0.00 0.00 +0.187 A ATOM 11 C LIG 1 -4.801 -0.208 -2.206 0.00 0.00 +0.280 A ATOM 12 N LIG 1 -5.999 -0.498 -2.763 0.00 0.00 -0.106 NA ATOM 13 N LIG 1 -6.258 -1.776 -3.123 0.00 0.00 -0.134 NA ATOM 14 C LIG 1 -5.303 -2.704 -2.921 0.00 0.00 +0.247 A ATOM 15 N LIG 1 -4.076 -2.475 -2.428 0.00 0.00 -0.214 NA BRANCH 11 16 ATOM 16 O LIG 1 -4.628 1.122 -1.906 0.00 0.00 -0.434 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.172 1.460 -0.652 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -4.680 0.984 0.566 0.00 0.00 +0.082 A ATOM 19 C LIG 1 -4.139 1.424 1.782 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -3.127 2.374 1.772 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -2.619 2.808 2.933 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -2.647 2.898 0.577 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -3.174 2.446 -0.634 0.00 0.00 +0.050 A BRANCH 18 24 ATOM 24 C LIG 1 -5.793 0.027 0.668 0.00 0.00 +0.251 C ATOM 25 N LIG 1 -7.110 0.500 0.612 0.00 0.00 -0.292 N ATOM 26 O LIG 1 -5.472 -1.143 0.864 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -8.218 -0.456 0.842 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -8.309 -1.532 -0.241 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -8.179 -1.073 2.244 0.00 0.00 +0.028 C ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 -7.458 1.925 0.390 0.00 0.00 +0.070 C ATOM 31 C LIG 1 -8.308 2.120 -0.868 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -8.122 2.545 1.622 0.00 0.00 +0.028 C ENDBRANCH 25 30 ENDBRANCH 18 24 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 33 ATOM 33 C LIG 1 3.143 -1.925 0.511 0.00 0.00 +0.088 C BRANCH 33 43 ATOM 34 C LIG 1 9.741 1.146 -1.831 0.00 0.00 +0.039 C ATOM 35 C LIG 1 9.702 1.472 -0.359 0.00 0.00 -0.069 C ATOM 36 C LIG 1 8.976 0.758 0.524 0.00 0.00 -0.006 C ATOM 37 C LIG 1 8.911 0.953 2.010 0.00 0.00 +0.160 C ATOM 38 O LIG 1 9.652 1.670 2.666 0.00 0.00 -0.292 OA ATOM 39 C LIG 1 7.851 0.071 2.614 0.00 0.00 +0.086 C ATOM 40 C LIG 1 7.004 -0.349 1.392 0.00 0.00 -0.018 C ATOM 41 C LIG 1 6.383 -1.753 1.583 0.00 0.00 +0.008 C ATOM 42 C LIG 1 5.004 -1.685 2.231 0.00 0.00 +0.005 C ATOM 43 C LIG 1 3.989 -0.931 1.345 0.00 0.00 +0.003 C ATOM 44 C LIG 1 4.679 0.111 0.440 0.00 0.00 +0.005 C ATOM 45 C LIG 1 5.904 0.719 1.119 0.00 0.00 +0.008 C ATOM 46 C LIG 1 8.040 -0.387 0.241 0.00 0.00 +0.046 C ATOM 47 C LIG 1 10.557 2.659 0.006 0.00 0.00 +0.039 C ENDBRANCH 33 43 ENDBRANCH 1 33 TORSDOF 8