REMARK Name = BDB001484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.514 1.345 -0.424 0.00 0.00 +0.151 A ATOM 2 C LIG 1 3.970 0.138 -0.964 0.00 0.00 +0.018 A ATOM 3 C LIG 1 4.582 -1.129 -1.543 0.00 0.00 -0.001 C ATOM 4 C LIG 1 3.483 -1.933 -2.349 0.00 0.00 +0.050 C ATOM 5 C LIG 1 2.086 -1.876 -1.794 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.637 -0.787 -1.074 0.00 0.00 +0.097 A ATOM 7 N LIG 1 0.392 -0.654 -0.594 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.467 -1.646 -0.873 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.140 -2.728 -1.603 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 1.128 -2.824 -2.045 0.00 0.00 +0.120 A ATOM 11 C LIG 1 5.115 -2.020 -0.404 0.00 0.00 +0.016 C ATOM 12 C LIG 1 5.715 -0.846 -2.547 0.00 0.00 +0.016 C ATOM 13 C LIG 1 2.599 0.259 -0.781 0.00 0.00 +0.092 A ATOM 14 N LIG 1 2.382 1.514 -0.296 0.00 0.00 -0.264 N ATOM 15 C LIG 1 1.120 2.160 -0.021 0.00 0.00 +0.173 C ATOM 16 N LIG 1 3.522 2.197 -0.073 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 7.292 3.694 0.502 0.00 0.00 +0.128 C ATOM 18 N LIG 1 6.040 3.055 0.210 0.00 0.00 -0.313 N ATOM 19 H LIG 1 5.159 3.555 0.306 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 5.919 1.744 -0.197 0.00 0.00 +0.264 C ATOM 21 O LIG 1 6.878 0.991 -0.334 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 -1.795 -1.599 -0.462 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -2.284 -2.401 -0.833 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.473 -0.854 0.511 0.00 0.00 +0.035 A ATOM 25 C LIG 1 -3.883 -0.849 0.495 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.664 -0.097 1.394 0.00 0.00 +0.032 A ATOM 27 C LIG 1 -3.962 0.679 2.326 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -2.565 0.704 2.359 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.829 -0.053 1.451 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 N LIG 1 -6.047 -0.118 1.356 0.00 0.00 -0.325 N ATOM 31 C LIG 1 -6.864 0.935 1.980 0.00 0.00 +0.133 C ATOM 32 C LIG 1 -8.228 1.031 1.274 0.00 0.00 +0.178 C ATOM 33 O LIG 1 -8.992 -0.183 1.307 0.00 0.00 -0.377 OA ATOM 34 C LIG 1 -8.178 -1.362 1.376 0.00 0.00 +0.178 C ATOM 35 C LIG 1 -6.796 -1.211 0.716 0.00 0.00 +0.133 C ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 4