REMARK Name = BDB060662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.366 -2.285 -0.859 0.00 0.00 -0.285 OA ATOM 2 C LIG 1 -0.044 -1.156 -0.583 0.00 0.00 +0.213 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.886 -0.066 -0.263 0.00 0.00 +0.049 A ATOM 4 C LIG 1 2.273 -0.212 0.100 0.00 0.00 +0.011 A ATOM 5 C LIG 1 2.798 1.065 0.310 0.00 0.00 +0.047 A ATOM 6 C LIG 1 4.128 1.290 0.686 0.00 0.00 +0.026 A ATOM 7 C LIG 1 4.953 0.175 0.853 0.00 0.00 +0.002 A ATOM 8 C LIG 1 4.465 -1.113 0.652 0.00 0.00 +0.001 A ATOM 9 N LIG 1 1.784 1.959 0.077 0.00 0.00 -0.360 N ATOM 10 H LIG 1 1.875 2.963 0.153 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 3.132 -1.319 0.278 0.00 0.00 +0.011 A ATOM 12 C LIG 1 0.641 1.297 -0.284 0.00 0.00 +0.095 A ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 -1.528 -0.936 -0.589 0.00 0.00 +0.112 A ATOM 14 N LIG 1 -2.033 0.160 0.036 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -3.386 0.337 0.046 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.252 -0.585 -0.543 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -3.721 -1.708 -1.172 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.342 -1.889 -1.195 0.00 0.00 +0.032 A BRANCH 15 19 ATOM 19 C LIG 1 -3.969 1.555 0.753 0.00 0.00 +0.434 C ATOM 20 F LIG 1 -5.086 2.038 0.131 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -4.353 1.285 2.033 0.00 0.00 -0.164 F ATOM 22 F LIG 1 -3.110 2.611 0.830 0.00 0.00 -0.164 F ENDBRANCH 15 19 ENDBRANCH 2 13 TORSDOF 3