REMARK Name = BDB060661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 BR LIG 1 -5.177 1.216 0.813 0.00 0.00 -0.048 Br ATOM 2 C LIG 1 -3.420 0.582 0.375 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -2.317 1.422 0.586 0.00 0.00 +0.057 A ATOM 4 BR LIG 1 -2.454 3.212 1.225 0.00 0.00 -0.047 Br ATOM 5 C LIG 1 -1.033 0.921 0.313 0.00 0.00 +0.064 A ATOM 6 N LIG 1 0.172 1.574 0.360 0.00 0.00 -0.352 N ATOM 7 H LIG 1 0.279 2.555 0.585 0.00 0.00 +0.166 HD ATOM 8 C LIG 1 1.214 0.733 0.066 0.00 0.00 +0.064 A ATOM 9 C LIG 1 0.675 -0.547 -0.089 0.00 0.00 +0.025 A ATOM 10 C LIG 1 1.614 -1.620 -0.140 0.00 0.00 +0.043 A ATOM 11 BR LIG 1 1.029 -3.397 0.263 0.00 0.00 -0.048 Br ATOM 12 C LIG 1 3.004 -1.350 -0.275 0.00 0.00 +0.048 A ATOM 13 BR LIG 1 4.240 -2.810 -0.487 0.00 0.00 -0.048 Br ATOM 14 C LIG 1 3.481 -0.028 -0.248 0.00 0.00 +0.049 A ATOM 15 BR LIG 1 5.348 0.357 -0.453 0.00 0.00 -0.048 Br ATOM 16 C LIG 1 2.584 1.028 -0.025 0.00 0.00 +0.057 A ATOM 17 BR LIG 1 3.115 2.848 0.162 0.00 0.00 -0.047 Br ATOM 18 C LIG 1 -0.777 -0.381 -0.124 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -1.917 -1.154 -0.495 0.00 0.00 +0.043 A ATOM 20 BR LIG 1 -1.690 -2.662 -1.650 0.00 0.00 -0.048 Br ATOM 21 C LIG 1 -3.227 -0.689 -0.192 0.00 0.00 +0.048 A ATOM 22 BR LIG 1 -4.744 -1.811 -0.571 0.00 0.00 -0.048 Br ENDROOT TORSDOF 0