REMARK Name = BDB063026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.156 -0.131 0.099 0.00 0.00 +0.090 A ATOM 2 N LIG 1 -0.596 -1.131 0.684 0.00 0.00 -0.228 NA ATOM 3 C LIG 1 -1.851 -0.763 0.540 0.00 0.00 +0.138 A ATOM 4 N LIG 1 -1.948 0.452 -0.124 0.00 0.00 -0.306 N ATOM 5 C LIG 1 -3.158 1.079 -0.413 0.00 0.00 +0.096 A ATOM 6 C LIG 1 -4.313 0.496 -0.038 0.00 0.00 -0.034 A ATOM 7 C LIG 1 -4.244 -0.786 0.665 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -5.665 1.082 -0.297 0.00 0.00 +0.045 C ATOM 9 C LIG 1 -3.067 -1.383 0.938 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -0.667 0.855 -0.406 0.00 0.00 +0.121 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.935 -0.348 -0.029 0.00 0.00 +0.044 C ATOM 12 C LIG 1 4.436 -0.296 -0.025 0.00 0.00 -0.050 A ATOM 13 C LIG 1 3.693 -1.319 0.570 0.00 0.00 +0.004 A ATOM 14 C LIG 1 2.296 -1.254 0.600 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.611 -0.162 0.048 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.363 0.867 -0.534 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.762 0.803 -0.565 0.00 0.00 +0.004 A ENDBRANCH 1 15 TORSDOF 1