REMARK Name = BDB057937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.269 -0.993 0.348 0.00 0.00 +0.203 A ATOM 2 N LIG 1 -0.835 0.326 0.393 0.00 0.00 -0.308 N ATOM 3 C LIG 1 0.530 0.314 0.624 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.853 -1.036 0.685 0.00 0.00 +0.091 A ATOM 5 C LIG 1 2.181 -1.432 0.903 0.00 0.00 +0.034 A ATOM 6 C LIG 1 3.176 -0.452 1.054 0.00 0.00 -0.031 A ATOM 7 C LIG 1 2.823 0.904 0.990 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.502 1.314 0.773 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.257 -1.811 0.515 0.00 0.00 -0.214 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.654 1.524 0.227 0.00 0.00 +0.091 C ATOM 11 C LIG 1 -1.259 2.361 -1.008 0.00 0.00 +0.025 C ATOM 12 C LIG 1 -1.554 3.854 -0.843 0.00 0.00 +0.008 C ATOM 13 C LIG 1 -2.851 4.085 -0.059 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -2.734 3.521 1.373 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -1.737 2.365 1.507 0.00 0.00 +0.025 C BRANCH 13 16 ATOM 16 C LIG 1 -3.268 5.560 -0.048 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 O LIG 1 -2.286 6.376 0.573 0.00 0.00 -0.395 OA ATOM 18 H LIG 1 -1.554 6.494 -0.057 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 2 10 BRANCH 1 21 ATOM 19 O LIG 1 -2.262 -3.675 -0.051 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 -2.970 -2.682 0.046 0.00 0.00 +0.250 C ATOM 21 N LIG 1 -2.588 -1.360 0.178 0.00 0.00 -0.252 N ATOM 22 H LIG 1 -3.293 -0.648 0.102 0.00 0.00 +0.158 HD BRANCH 20 23 ATOM 23 C LIG 1 -4.442 -2.886 -0.038 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.934 -3.848 -0.929 0.00 0.00 +0.045 A ATOM 25 C LIG 1 -6.314 -4.062 -1.011 0.00 0.00 +0.127 A ATOM 26 C LIG 1 -7.201 -3.333 -0.205 0.00 0.00 +0.033 A ATOM 27 C LIG 1 -6.701 -2.389 0.694 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -5.325 -2.167 0.782 0.00 0.00 +0.013 A BRANCH 25 29 ATOM 29 N LIG 1 -6.842 -5.057 -1.952 0.00 0.00 +0.056 N ATOM 30 O LIG 1 -8.045 -5.343 -1.869 0.00 0.00 -0.126 OA ATOM 31 O LIG 1 -6.059 -5.540 -2.780 0.00 0.00 -0.126 OA ENDBRANCH 25 29 ENDBRANCH 20 23 ENDBRANCH 1 21 BRANCH 6 32 ATOM 32 C LIG 1 4.616 -0.860 1.294 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.543 -0.378 0.255 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 6.946 -0.572 0.653 0.00 0.00 +0.085 C ATOM 35 C LIG 1 7.609 -1.787 0.008 0.00 0.00 +0.015 C ATOM 36 C LIG 1 7.596 -1.683 -1.516 0.00 0.00 +0.002 C ATOM 37 C LIG 1 6.403 -0.880 -2.031 0.00 0.00 +0.015 C ATOM 38 C LIG 1 5.223 -0.957 -1.063 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8