REMARK Name = BDB065028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.709 -1.044 -1.145 0.00 0.00 -0.180 N ATOM 2 C LIG 1 -0.081 -0.897 0.115 0.00 0.00 +0.356 A ATOM 3 O LIG 1 -0.546 -0.510 1.178 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 1.220 -1.307 -0.106 0.00 0.00 -0.250 N ATOM 5 C LIG 1 1.299 -1.667 -1.413 0.00 0.00 +0.174 A ATOM 6 C LIG 1 2.601 -2.161 -1.898 0.00 0.00 +0.100 A ATOM 7 C LIG 1 3.618 -2.205 -1.012 0.00 0.00 +0.022 A ATOM 8 C LIG 1 3.469 -1.768 0.375 0.00 0.00 -0.016 A ATOM 9 C LIG 1 2.255 -1.357 0.786 0.00 0.00 +0.102 A ATOM 10 N LIG 1 0.194 -1.535 -2.076 0.00 0.00 -0.143 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.321 0.020 -0.959 0.00 0.00 -0.030 A ATOM 12 C LIG 1 -2.976 -0.252 -0.614 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.043 -0.778 -1.522 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -2.469 -1.044 -2.828 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -3.788 -0.803 -3.206 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.695 -0.286 -2.282 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.389 0.616 0.102 0.00 0.00 +0.072 C ATOM 18 C LIG 1 -6.253 1.842 -0.397 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -5.211 2.779 0.251 0.00 0.00 -0.011 C ATOM 20 C LIG 1 -5.744 4.045 0.889 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -4.868 1.615 1.207 0.00 0.00 +0.024 C BRANCH 17 25 ATOM 22 C LIG 1 -6.191 -2.544 2.164 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -5.624 -1.321 1.656 0.00 0.00 -0.318 N ATOM 24 H LIG 1 -4.647 -1.131 1.843 0.00 0.00 +0.148 HD ATOM 25 C LIG 1 -6.243 -0.613 0.639 0.00 0.00 +0.223 C ATOM 26 O LIG 1 -7.354 -0.938 0.213 0.00 0.00 -0.275 OA ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 C LIG 1 2.655 -2.575 -3.319 0.00 0.00 +0.421 C ATOM 28 F LIG 1 2.374 -1.557 -4.169 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.799 -3.590 -3.598 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.895 -3.023 -3.663 0.00 0.00 -0.166 F ENDBRANCH 6 27 BRANCH 8 31 ATOM 31 C LIG 1 4.654 -1.875 1.312 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 N LIG 1 5.604 -0.764 1.300 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 5.100 0.499 1.844 0.00 0.00 +0.088 C ATOM 34 C LIG 1 5.160 1.661 0.842 0.00 0.00 +0.000 C ATOM 35 C LIG 1 4.611 2.949 1.454 0.00 0.00 +0.009 C ATOM 36 C LIG 1 6.595 1.868 0.333 0.00 0.00 +0.006 C ATOM 37 C LIG 1 7.364 0.553 0.195 0.00 0.00 +0.016 C ATOM 38 C LIG 1 6.427 -0.649 0.099 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 6