REMARK Name = BDB020625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.319 0.948 0.549 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.280 1.986 0.689 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.780 3.376 0.997 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.032 1.628 0.558 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.328 0.250 0.351 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.350 -0.737 0.256 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.957 -1.962 0.083 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -2.356 -1.752 0.061 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -2.547 -0.395 0.223 0.00 0.00 +0.099 A ATOM 10 C LIG 1 1.010 -0.345 0.335 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.389 -2.734 -0.109 0.00 0.00 -0.040 C ATOM 12 C LIG 1 -4.783 -2.324 0.319 0.00 0.00 +0.050 C ATOM 13 C LIG 1 -5.728 -3.526 0.470 0.00 0.00 +0.086 C ATOM 14 N LIG 1 -5.629 -4.432 -0.675 0.00 0.00 -0.312 NA ATOM 15 H LIG 1 -6.293 -5.196 -0.567 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -4.279 -4.985 -0.780 0.00 0.00 +0.108 C ATOM 17 C LIG 1 -3.187 -3.974 -0.596 0.00 0.00 -0.008 C ENDBRANCH 8 11 BRANCH 1 20 ATOM 18 N LIG 1 3.479 0.620 1.551 0.00 0.00 -0.307 N ATOM 19 H LIG 1 3.012 -0.063 2.138 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 2.777 1.279 0.573 0.00 0.00 +0.245 C ATOM 21 O LIG 1 3.267 2.087 -0.207 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 4.917 0.700 1.661 0.00 0.00 +0.145 C BRANCH 22 29 ATOM 23 C LIG 1 7.216 -4.080 -0.727 0.00 0.00 +0.063 C ATOM 24 C LIG 1 6.652 -2.799 -0.197 0.00 0.00 +0.016 A ATOM 25 N LIG 1 6.004 -2.851 1.011 0.00 0.00 -0.326 N ATOM 26 H LIG 1 5.918 -3.731 1.504 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 5.421 -1.773 1.626 0.00 0.00 +0.254 A ATOM 28 O LIG 1 4.826 -1.892 2.694 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 5.532 -0.452 0.922 0.00 0.00 +0.037 A ATOM 30 C LIG 1 6.177 -0.408 -0.266 0.00 0.00 -0.039 A ATOM 31 C LIG 1 6.373 0.822 -1.110 0.00 0.00 +0.044 C ATOM 32 C LIG 1 6.743 -1.623 -0.836 0.00 0.00 +0.024 A ENDBRANCH 22 29 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 4 33 ATOM 33 C LIG 1 -2.180 2.649 0.625 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -2.860 2.527 2.003 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -3.122 2.574 -0.515 0.00 0.00 -0.290 NA ATOM 36 C LIG 1 -4.306 3.447 -0.357 0.00 0.00 +0.113 C ATOM 37 C LIG 1 -4.988 3.741 -1.702 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -4.147 4.489 -2.589 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -2.753 4.213 -2.404 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -2.478 2.814 -1.830 0.00 0.00 +0.113 C ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 6