REMARK Name = BDB027722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.546 0.637 0.136 0.00 0.00 +0.133 A ATOM 2 C LIG 1 0.274 1.834 -0.544 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.028 1.964 -1.022 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.308 3.145 -1.693 0.00 0.00 +0.139 A ATOM 5 N LIG 1 -0.437 4.164 -1.922 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.812 3.997 -1.453 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -1.966 1.017 -0.854 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -1.606 -0.102 -0.200 0.00 0.00 +0.165 A ATOM 9 C LIG 1 1.212 2.867 -0.767 0.00 0.00 +0.033 A ATOM 10 N LIG 1 -0.387 -0.316 0.310 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.634 -1.139 -0.020 0.00 0.00 +0.057 A ATOM 12 C LIG 1 -2.326 -2.443 0.381 0.00 0.00 +0.152 A ATOM 13 F LIG 1 -1.065 -2.840 0.609 0.00 0.00 -0.203 F ATOM 14 C LIG 1 -3.345 -3.372 0.536 0.00 0.00 +0.149 A ATOM 15 N LIG 1 -4.652 -3.106 0.321 0.00 0.00 -0.260 NA ATOM 16 C LIG 1 -4.947 -1.851 -0.071 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -3.994 -0.858 -0.251 0.00 0.00 +0.034 A ENDBRANCH 8 11 BRANCH 1 18 ATOM 18 N LIG 1 1.853 0.432 0.684 0.00 0.00 -0.315 N ATOM 19 C LIG 1 1.751 0.771 2.114 0.00 0.00 +0.131 C BRANCH 18 21 ATOM 20 C LIG 1 2.481 -1.188 -1.100 0.00 0.00 +0.028 C ATOM 21 C LIG 1 2.345 -0.949 0.412 0.00 0.00 +0.068 C ATOM 22 C LIG 1 3.731 -1.158 1.041 0.00 0.00 +0.028 C ENDBRANCH 18 21 ENDBRANCH 1 18 TORSDOF 3