REMARK Name = BDB064380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.113 -1.014 0.538 0.00 0.00 +0.075 C ENDROOT BRANCH 1 10 ATOM 2 O LIG 1 4.245 3.087 1.250 0.00 0.00 -0.267 OA ATOM 3 C LIG 1 4.411 1.911 0.957 0.00 0.00 +0.261 A ATOM 4 C LIG 1 5.726 1.297 0.655 0.00 0.00 +0.083 A ATOM 5 C LIG 1 5.708 -0.072 0.338 0.00 0.00 +0.080 A ATOM 6 C LIG 1 6.908 -0.727 0.041 0.00 0.00 +0.028 A ATOM 7 C LIG 1 8.119 -0.039 0.056 0.00 0.00 +0.004 A ATOM 8 C LIG 1 8.134 1.318 0.370 0.00 0.00 +0.021 A ATOM 9 N LIG 1 4.532 -0.840 0.299 0.00 0.00 -0.234 NA ATOM 10 C LIG 1 3.415 -0.256 0.579 0.00 0.00 +0.110 A ATOM 11 C LIG 1 6.943 1.993 0.671 0.00 0.00 +0.055 A ATOM 12 CL LIG 1 7.096 3.673 1.044 0.00 0.00 -0.083 Cl ATOM 13 N LIG 1 3.328 1.069 0.892 0.00 0.00 -0.310 N ATOM 14 H LIG 1 2.436 1.492 1.108 0.00 0.00 +0.170 HD ENDBRANCH 1 10 BRANCH 1 15 ATOM 15 C LIG 1 1.409 -0.777 -0.798 0.00 0.00 +0.023 C BRANCH 15 16 ATOM 16 C LIG 1 0.075 -1.527 -0.900 0.00 0.00 +0.085 C BRANCH 16 17 ATOM 17 N LIG 1 -0.907 -1.113 0.113 0.00 0.00 -0.299 NA ATOM 18 C LIG 1 -1.334 0.295 -0.075 0.00 0.00 +0.103 C ATOM 19 C LIG 1 -2.760 0.614 0.434 0.00 0.00 +0.120 C ATOM 20 N LIG 1 -3.751 -0.211 -0.273 0.00 0.00 -0.327 N ATOM 21 C LIG 1 -3.305 -1.549 -0.694 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -2.081 -2.017 0.129 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -5.082 0.164 -0.373 0.00 0.00 +0.030 A ATOM 24 C LIG 1 -5.638 1.170 0.435 0.00 0.00 +0.023 A ATOM 25 C LIG 1 -6.982 1.551 0.329 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -7.811 0.934 -0.599 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.292 -0.060 -1.419 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -5.948 -0.435 -1.304 0.00 0.00 +0.023 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 5