REMARK Name = BDB059059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.442 -1.401 0.527 0.00 0.00 +0.060 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.907 -0.704 0.320 0.00 0.00 -0.037 A ATOM 3 C LIG 1 1.527 -0.613 -0.942 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.754 0.059 -1.060 0.00 0.00 +0.113 A ATOM 5 N LIG 1 3.543 0.280 -2.156 0.00 0.00 -0.129 NA ATOM 6 N LIG 1 4.607 0.968 -1.764 0.00 0.00 -0.065 NA ATOM 7 N LIG 1 4.487 1.179 -0.440 0.00 0.00 -0.247 N ATOM 8 C LIG 1 5.513 1.913 0.252 0.00 0.00 +0.175 C ATOM 9 C LIG 1 3.339 0.629 0.063 0.00 0.00 +0.089 A ATOM 10 C LIG 1 2.758 0.570 1.331 0.00 0.00 +0.030 A ATOM 11 C LIG 1 1.533 -0.104 1.432 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 18 ATOM 12 C LIG 1 -3.152 2.435 -1.394 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -2.911 1.457 -0.279 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -3.712 1.434 0.872 0.00 0.00 +0.044 A ATOM 15 CL LIG 1 -5.032 2.529 1.078 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 -3.461 0.513 1.891 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.407 -0.394 1.776 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -1.586 -0.392 0.639 0.00 0.00 -0.039 A ATOM 19 C LIG 1 -1.853 0.537 -0.383 0.00 0.00 +0.009 A ENDBRANCH 1 18 BRANCH 1 20 ATOM 20 C LIG 1 -0.759 -2.486 -0.519 0.00 0.00 +0.133 C BRANCH 20 21 ATOM 21 C LIG 1 -1.876 -3.384 -0.060 0.00 0.00 +0.306 C ATOM 22 O LIG 1 -2.140 -3.703 1.087 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O LIG 1 -2.580 -3.889 -1.091 0.00 0.00 -0.481 OA ATOM 24 H LIG 1 -3.257 -4.457 -0.668 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 5