REMARK Name = BDB032340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.180 -1.335 -0.770 0.00 0.00 -0.038 A ATOM 2 C LIG 1 0.389 -0.066 -0.952 0.00 0.00 -0.009 A ATOM 3 C LIG 1 -0.483 1.021 -0.922 0.00 0.00 +0.118 A ATOM 4 N LIG 1 -1.817 0.944 -0.705 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -2.359 -0.269 -0.492 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -1.564 -1.417 -0.532 0.00 0.00 +0.047 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.744 -0.381 -0.259 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.037 -0.998 1.059 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.472 -0.886 1.459 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -6.104 -1.434 2.471 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -7.417 -1.017 2.420 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.563 -0.219 1.376 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.349 -0.106 0.757 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.985 0.634 -0.433 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.472 0.884 -0.489 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.787 0.464 0.899 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -8.676 1.816 1.012 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -9.013 0.215 -0.420 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -9.910 0.102 1.566 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 1.252 -2.930 0.543 0.00 0.00 +0.009 C ATOM 21 C LIG 1 0.616 -2.618 -0.803 0.00 0.00 +0.032 C ENDBRANCH 1 21 BRANCH 2 22 ATOM 22 C LIG 1 1.851 0.185 -1.226 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 2.371 1.169 -0.269 0.00 0.00 -0.339 N ATOM 24 H LIG 1 2.183 0.876 0.685 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 3.752 1.432 -0.465 0.00 0.00 +0.035 A ATOM 26 C LIG 1 4.773 0.828 0.328 0.00 0.00 +0.008 A ATOM 27 C LIG 1 6.133 1.102 0.030 0.00 0.00 +0.023 A ATOM 28 C LIG 1 7.128 0.492 0.836 0.00 0.00 +0.124 A ATOM 29 N LIG 1 6.848 -0.334 1.858 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 5.556 -0.582 2.122 0.00 0.00 +0.113 A ATOM 31 C LIG 1 6.435 1.960 -1.053 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.432 2.530 -1.832 0.00 0.00 +0.003 A ATOM 33 C LIG 1 4.506 -0.040 1.403 0.00 0.00 +0.030 A ATOM 34 C LIG 1 4.102 2.260 -1.543 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 8.495 0.717 0.607 0.00 0.00 -0.343 N ATOM 36 H LIG 1 8.732 0.421 -0.334 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 8.690 1.709 0.699 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7