REMARK Name = BDB035520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.289 -0.469 0.521 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.138 -1.182 0.876 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.013 -2.159 1.585 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.992 -0.533 0.200 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.333 -0.867 0.244 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.231 -0.090 -0.503 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.746 1.007 -1.255 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.376 1.335 -1.287 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.510 0.538 -0.544 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.973 0.633 -0.380 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.027 -0.197 0.888 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.691 0.045 0.494 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.618 -0.738 0.951 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.912 -1.778 1.837 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.223 -2.027 2.252 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.275 -1.242 1.783 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 7.519 0.537 0.942 0.00 0.00 +0.020 C ATOM 18 C LIG 1 6.128 0.694 0.317 0.00 0.00 +0.084 C BRANCH 18 19 ATOM 19 C LIG 1 6.221 0.624 -1.185 0.00 0.00 +0.140 A ATOM 20 N LIG 1 6.330 -0.506 -1.958 0.00 0.00 -0.320 N ATOM 21 C LIG 1 6.374 -1.883 -1.546 0.00 0.00 +0.151 C ATOM 22 C LIG 1 6.367 -0.078 -3.251 0.00 0.00 +0.224 A ATOM 23 N LIG 1 6.287 1.230 -3.285 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 6.194 1.672 -1.989 0.00 0.00 -0.134 NA ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 25 ATOM 25 C LIG 1 -0.860 2.497 -2.093 0.00 0.00 +0.418 C ATOM 26 F LIG 1 0.007 2.102 -3.064 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.837 3.204 -2.722 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.180 3.393 -1.326 0.00 0.00 -0.166 F ENDBRANCH 8 25 BRANCH 6 29 ATOM 29 C LIG 1 -4.712 -0.404 -0.470 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 -5.313 0.125 0.754 0.00 0.00 -0.307 NA ATOM 31 H LIG 1 -5.017 1.093 0.870 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -6.772 -0.068 0.788 0.00 0.00 +0.017 C ATOM 33 C LIG 1 -7.320 0.782 1.976 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -8.417 1.294 1.017 0.00 0.00 +0.004 C ATOM 35 C LIG 1 -7.469 0.956 -0.153 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.229 -1.516 0.771 0.00 0.00 +0.027 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 7