REMARK Name = BDB063757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.001 0.725 0.171 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.633 2.072 0.502 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -1.172 2.903 -0.498 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.726 4.142 -0.167 0.00 0.00 +0.076 A ATOM 5 CL LIG 1 -2.393 5.130 -1.409 0.00 0.00 -0.081 Cl ATOM 6 C LIG 1 -1.736 4.566 1.159 0.00 0.00 +0.142 A ATOM 7 F LIG 1 -2.266 5.751 1.498 0.00 0.00 -0.204 F ATOM 8 C LIG 1 -1.189 3.769 2.159 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -0.633 2.530 1.833 0.00 0.00 +0.009 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 N LIG 1 1.358 0.997 -0.356 0.00 0.00 -0.330 N ATOM 11 H LIG 1 1.282 1.115 -1.371 0.00 0.00 +0.147 HD BRANCH 10 15 ATOM 12 C LIG 1 4.156 -2.798 -1.889 0.00 0.00 +0.044 C ATOM 13 C LIG 1 3.649 -1.914 -0.789 0.00 0.00 -0.047 A ATOM 14 C LIG 1 2.752 -0.872 -1.073 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.292 -0.017 -0.063 0.00 0.00 +0.030 A ATOM 16 C LIG 1 2.749 -0.207 1.245 0.00 0.00 +0.043 A ATOM 17 C LIG 1 3.651 -1.230 1.531 0.00 0.00 +0.043 A ATOM 18 CL LIG 1 4.208 -1.447 3.145 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 4.105 -2.079 0.523 0.00 0.00 +0.023 A ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 C LIG 1 -0.814 -0.064 -0.879 0.00 0.00 +0.188 C ATOM 21 O LIG 1 -0.508 -0.045 -2.076 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -2.011 -0.855 -0.453 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.534 -0.815 0.847 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -3.659 -1.581 1.178 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -4.265 -2.386 0.215 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -5.646 -3.323 0.630 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -3.758 -2.433 -1.080 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -2.636 -1.669 -1.412 0.00 0.00 +0.013 A ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5