REMARK Name = BDB025967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.676 -0.783 -0.317 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.078 0.473 -0.066 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.301 0.573 0.152 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.130 -0.564 0.113 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.512 -1.798 -0.145 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.248 -2.919 -0.210 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.862 -1.916 -0.354 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.854 -3.707 -1.962 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.521 -2.325 -2.015 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.636 -2.311 -1.035 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.859 -1.778 -1.644 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.311 -1.582 0.220 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.062 -2.228 1.389 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.796 -1.549 0.549 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.071 -0.840 -0.522 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.479 -1.176 -1.903 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.580 -0.454 0.334 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.317 -1.358 1.073 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.649 -1.275 1.291 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.312 -0.240 0.751 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.690 0.693 0.013 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.356 0.568 -0.174 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.683 -0.117 0.986 0.00 0.00 -0.297 N ATOM 24 C LIG 1 7.385 0.715 0.000 0.00 0.00 +0.123 C ATOM 25 C LIG 1 8.882 0.864 0.361 0.00 0.00 +0.103 C ATOM 26 N LIG 1 9.603 -0.398 0.639 0.00 0.00 -0.302 NA ATOM 27 C LIG 1 9.806 -1.182 -0.577 0.00 0.00 +0.105 C ATOM 28 C LIG 1 8.841 -1.155 1.657 0.00 0.00 +0.103 C ATOM 29 C LIG 1 7.343 -1.379 1.344 0.00 0.00 +0.123 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.964 1.573 -0.046 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.927 1.280 -0.206 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.654 2.905 0.080 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -0.542 3.409 0.154 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.825 3.816 0.049 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -3.885 3.729 0.969 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.956 4.634 0.840 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -4.944 5.604 -0.158 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -5.972 6.455 -0.258 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -3.882 5.707 -1.045 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -2.816 4.814 -0.941 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -3.904 2.707 2.072 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.715 2.561 2.710 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.253 1.474 1.610 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.811 2.995 3.048 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6