REMARK Name = BDB031774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.360 -2.178 1.114 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.519 -1.727 2.149 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.255 -1.225 1.815 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.220 -1.158 0.513 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.528 -0.587 0.619 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.834 -0.326 1.894 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.608 -1.625 -0.525 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.754 -0.719 2.584 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.765 -0.612 3.591 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.877 -2.132 -0.205 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.691 1.389 -0.811 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.362 0.378 0.104 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.075 -0.812 0.094 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.000 -2.070 0.912 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.733 -2.736 1.409 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.127 -2.923 0.375 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.725 -2.209 -0.648 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.513 -2.561 -1.170 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.431 -4.031 0.784 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.669 -2.039 2.376 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.123 -0.962 -0.826 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.476 0.009 -1.738 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.743 1.200 -1.727 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.174 3.564 -1.630 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.916 2.513 -0.709 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.298 -0.369 -0.474 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.918 -0.622 -1.383 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.595 0.174 -0.631 0.00 0.00 +0.098 A ATOM 29 C LIG 1 -4.152 0.283 -1.909 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -5.383 0.790 -2.146 0.00 0.00 -0.109 NA ATOM 31 N LIG 1 -6.137 1.222 -1.100 0.00 0.00 -0.150 NA ATOM 32 C LIG 1 -5.652 1.140 0.161 0.00 0.00 +0.068 A ATOM 33 C LIG 1 -4.387 0.621 0.422 0.00 0.00 +0.054 A BRANCH 32 34 ATOM 34 C LIG 1 -6.532 1.633 1.290 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -7.826 0.821 1.364 0.00 0.00 +0.014 C ATOM 36 C LIG 1 -6.833 3.124 1.132 0.00 0.00 +0.014 C ENDBRANCH 32 34 BRANCH 29 37 ATOM 37 O LIG 1 -3.368 -0.162 -2.967 0.00 0.00 -0.477 OA ATOM 38 C LIG 1 -4.016 -0.020 -4.228 0.00 0.00 +0.279 C ENDBRANCH 29 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6