REMARK Name = BDB019827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.939 1.021 0.483 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.641 0.655 0.089 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.225 -0.684 0.128 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.121 -1.677 0.540 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.420 -1.341 0.945 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.812 0.008 0.918 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.480 2.883 -0.277 0.00 0.00 +0.222 A ATOM 8 C LIG 1 -2.368 2.430 0.448 0.00 0.00 +0.044 A ATOM 9 C LIG 1 -1.651 3.405 1.162 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -2.051 4.745 1.147 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -1.276 5.795 1.876 0.00 0.00 +0.045 C ATOM 12 C LIG 1 -3.163 5.071 0.384 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -3.887 4.175 -0.319 0.00 0.00 -0.221 NA BRANCH 7 15 ATOM 14 C LIG 1 -5.256 2.506 -1.767 0.00 0.00 +0.279 C ATOM 15 O LIG 1 -4.197 1.945 -1.000 0.00 0.00 -0.479 OA ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 16 ATOM 16 C LIG 1 1.149 -1.092 -0.283 0.00 0.00 +0.245 C ATOM 17 N LIG 1 2.127 -0.139 -0.162 0.00 0.00 -0.303 N ATOM 18 H LIG 1 1.967 0.727 0.339 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 1.364 -2.236 -0.667 0.00 0.00 -0.270 OA BRANCH 17 20 ATOM 20 C LIG 1 3.523 -0.399 -0.463 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 C LIG 1 4.416 0.373 0.507 0.00 0.00 +0.062 A ATOM 22 N LIG 1 3.906 1.508 1.069 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 4.708 2.188 1.917 0.00 0.00 +0.111 A ATOM 24 C LIG 1 6.001 1.803 2.235 0.00 0.00 +0.023 A ATOM 25 C LIG 1 6.522 0.653 1.643 0.00 0.00 -0.047 A ATOM 26 C LIG 1 7.904 0.177 1.978 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.709 -0.078 0.773 0.00 0.00 +0.028 A ENDBRANCH 20 21 BRANCH 20 28 ATOM 28 C LIG 1 3.800 0.066 -1.872 0.00 0.00 +0.015 C ATOM 29 C LIG 1 3.394 -0.782 -3.055 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.850 -0.610 -2.725 0.00 0.00 +0.006 C ENDBRANCH 20 28 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 31 ATOM 31 C LIG 1 -3.394 -2.412 1.386 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.814 -3.238 0.276 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.432 -4.566 0.049 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.649 -5.330 0.723 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.277 -4.829 1.527 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.101 -4.918 -1.127 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -3.863 -6.158 -1.823 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.806 -3.830 -1.616 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.644 -2.813 -0.760 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8