REMARK Name = BDB009427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.626 -1.972 1.888 0.00 0.00 +0.247 C ATOM 2 N LIG 1 3.275 -1.748 1.640 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.302 -2.563 2.373 0.00 0.00 +0.127 C ATOM 4 C LIG 1 0.914 -2.552 1.725 0.00 0.00 +0.127 C ATOM 5 N LIG 1 0.394 -1.196 1.528 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -0.979 -1.038 1.381 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.765 -1.980 1.312 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.386 -0.120 1.403 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.738 -0.619 0.867 0.00 0.00 +0.127 C ATOM 10 O LIG 1 5.030 -2.746 2.753 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 8.436 0.732 -3.805 0.00 0.00 +0.086 C ATOM 12 C LIG 1 7.827 0.300 -2.526 0.00 0.00 +0.105 A ATOM 13 N LIG 1 8.366 0.634 -1.308 0.00 0.00 -0.342 N ATOM 14 H LIG 1 9.200 1.183 -1.163 0.00 0.00 +0.167 HD ATOM 15 C LIG 1 7.581 0.087 -0.325 0.00 0.00 +0.066 A ATOM 16 C LIG 1 6.578 -0.579 -1.020 0.00 0.00 +0.090 A ATOM 17 C LIG 1 5.590 -1.274 -0.313 0.00 0.00 +0.043 A ATOM 18 C LIG 1 5.639 -1.245 1.088 0.00 0.00 +0.039 A ATOM 19 C LIG 1 6.673 -0.584 1.766 0.00 0.00 +0.015 A ATOM 20 C LIG 1 7.670 0.107 1.069 0.00 0.00 +0.028 A ATOM 21 N LIG 1 6.742 -0.431 -2.375 0.00 0.00 -0.233 NA ENDBRANCH 1 18 BRANCH 6 22 ATOM 22 C LIG 1 -1.543 0.318 1.272 0.00 0.00 +0.072 A ATOM 23 C LIG 1 -1.416 1.231 2.314 0.00 0.00 +0.135 A ATOM 24 F LIG 1 -0.745 0.918 3.431 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -1.988 2.495 2.211 0.00 0.00 +0.039 A ATOM 26 C LIG 1 -2.709 2.840 1.066 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -2.880 1.917 0.020 0.00 0.00 -0.041 A ATOM 28 C LIG 1 -2.279 0.653 0.128 0.00 0.00 +0.020 A BRANCH 27 29 ATOM 29 C LIG 1 -3.660 2.324 -1.213 0.00 0.00 +0.094 C BRANCH 29 30 ATOM 30 C LIG 1 -4.510 1.216 -1.820 0.00 0.00 +0.087 A ATOM 31 C LIG 1 -5.786 0.815 -1.131 0.00 0.00 +0.059 A ATOM 32 N LIG 1 -6.169 1.379 0.083 0.00 0.00 -0.342 N ATOM 33 H LIG 1 -5.383 1.672 0.660 0.00 0.00 +0.146 HD ATOM 34 C LIG 1 -7.242 0.764 0.862 0.00 0.00 +0.102 C ATOM 35 C LIG 1 -8.366 0.333 -0.075 0.00 0.00 +0.023 C ATOM 36 C LIG 1 -7.839 -0.586 -1.185 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -6.530 -0.112 -1.753 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -6.065 -0.721 -3.019 0.00 0.00 +0.270 A ATOM 39 O LIG 1 -6.724 -1.572 -3.607 0.00 0.00 -0.266 OA ATOM 40 N LIG 1 -4.853 -0.285 -3.486 0.00 0.00 -0.243 N ATOM 41 H LIG 1 -4.519 -0.693 -4.354 0.00 0.00 +0.192 HD ATOM 42 N LIG 1 -4.078 0.682 -2.925 0.00 0.00 -0.174 NA ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 22 TORSDOF 4