REMARK Name = BDB025107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.995 -0.936 0.410 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.732 -1.474 0.719 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.634 -2.763 1.448 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.085 -3.941 0.565 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.233 -3.103 1.979 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.544 -1.866 2.507 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.430 -0.896 1.368 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.265 -0.126 1.164 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.095 -0.136 1.876 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 0.698 0.751 1.302 0.00 0.00 +0.128 A ATOM 11 N LIG 1 0.060 1.357 0.232 0.00 0.00 -0.323 N ATOM 12 C LIG 1 -1.199 0.791 0.124 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -2.266 0.977 -0.758 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -3.423 0.213 -0.545 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.531 -0.711 0.502 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.212 0.133 -0.151 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.606 2.409 -0.622 0.00 0.00 +0.090 C ATOM 18 C LIG 1 0.827 1.946 -2.075 0.00 0.00 +0.039 C ATOM 19 C LIG 1 0.879 3.108 -3.082 0.00 0.00 +0.100 C ATOM 20 C LIG 1 1.416 4.385 -2.430 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.537 4.856 -1.270 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.190 3.719 -0.548 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 1.706 2.731 -4.293 0.00 0.00 +0.308 C ATOM 24 O LIG 1 2.632 3.356 -4.780 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 1.279 1.593 -4.875 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 1.877 1.484 -5.644 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -8.325 -1.214 0.587 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.019 -1.728 0.851 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 2.099 1.026 1.762 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 N LIG 1 3.027 0.109 1.109 0.00 0.00 -0.294 N ATOM 31 C LIG 1 3.799 0.531 0.043 0.00 0.00 +0.216 C ATOM 32 O LIG 1 3.848 1.694 -0.350 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 4.540 -0.582 -0.671 0.00 0.00 +0.102 C ATOM 34 C LIG 1 5.232 -1.564 0.298 0.00 0.00 -0.025 C ATOM 35 C LIG 1 6.544 -0.938 0.812 0.00 0.00 +0.011 C ATOM 36 C LIG 1 5.587 -2.847 -0.477 0.00 0.00 +0.011 C ATOM 37 C LIG 1 4.327 -1.922 1.507 0.00 0.00 +0.026 C ATOM 38 C LIG 1 2.933 -1.312 1.407 0.00 0.00 +0.109 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6