REMARK Name = BDB003335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.982 0.842 -1.496 0.00 0.00 -0.284 N ATOM 2 C LIG 1 -0.633 0.530 -1.240 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.367 0.770 -2.185 0.00 0.00 -0.026 A ATOM 4 C LIG 1 1.696 0.401 -1.916 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.103 -0.177 -0.689 0.00 0.00 -0.035 A ATOM 6 C LIG 1 1.115 -0.343 0.300 0.00 0.00 +0.023 A ATOM 7 C LIG 1 0.032 1.397 -3.512 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.220 2.250 -3.387 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.226 0.008 -0.003 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.348 1.416 -2.799 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.045 0.953 0.372 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -3.959 1.338 -0.333 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -3.127 0.382 -0.806 0.00 0.00 +0.136 A ATOM 14 C LIG 1 -3.402 -1.002 -0.631 0.00 0.00 +0.040 A ATOM 15 C LIG 1 -4.544 -1.367 0.112 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -4.845 -2.722 0.306 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -4.016 -3.678 -0.254 0.00 0.00 +0.111 A ATOM 18 N LIG 1 -2.930 -3.382 -0.989 0.00 0.00 -0.263 NA ATOM 19 C LIG 1 -2.652 -2.066 -1.161 0.00 0.00 +0.122 A ATOM 20 C LIG 1 -5.370 -0.370 0.630 0.00 0.00 +0.041 A BRANCH 11 24 ATOM 21 C LIG 1 -7.015 3.013 2.853 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -6.295 1.938 2.216 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -5.757 1.319 2.808 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -5.922 2.049 0.884 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -6.270 2.974 0.159 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 3.598 -0.510 -0.594 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.027 -1.867 0.014 0.00 0.00 +0.027 C ATOM 28 C LIG 1 4.645 -1.808 1.411 0.00 0.00 +0.108 C ATOM 29 N LIG 1 5.558 -0.681 1.523 0.00 0.00 -0.302 N ATOM 30 C LIG 1 6.943 -0.776 1.474 0.00 0.00 +0.212 C ATOM 31 O LIG 1 7.671 0.205 1.319 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 7.546 -2.148 1.626 0.00 0.00 +0.109 C ATOM 33 C LIG 1 4.936 0.614 1.293 0.00 0.00 +0.108 C ATOM 34 C LIG 1 4.448 0.701 -0.145 0.00 0.00 +0.027 C ENDBRANCH 5 26 BRANCH 6 35 ATOM 35 C LIG 1 1.367 -0.869 1.690 0.00 0.00 +0.372 C ATOM 36 F LIG 1 0.299 -0.741 2.534 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.672 -2.194 1.708 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4