REMARK Name = BDB032355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.431 -0.643 0.660 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.283 0.327 -0.027 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.579 0.202 -0.405 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -2.232 -0.937 -0.094 0.00 0.00 +0.122 A ATOM 5 C LIG 1 -1.579 -1.969 0.584 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.246 -1.821 0.968 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.576 -1.096 -0.485 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.472 -1.307 0.678 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.922 -1.209 0.333 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -6.978 -1.481 1.066 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -8.096 -1.218 0.304 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.702 -0.790 -0.883 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.335 -0.760 -0.891 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.426 -0.385 -1.953 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.041 -0.030 -1.397 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.532 -0.394 -2.045 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -9.853 -0.648 -1.884 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -8.141 -1.038 -3.178 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -8.411 0.935 -2.309 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 1.864 -0.412 1.063 0.00 0.00 +0.141 C BRANCH 20 22 ATOM 21 C LIG 1 3.116 -1.302 -0.911 0.00 0.00 +0.129 C ATOM 22 N LIG 1 2.690 -0.148 -0.120 0.00 0.00 -0.328 N BRANCH 22 23 ATOM 23 C LIG 1 3.699 0.823 0.048 0.00 0.00 +0.038 A ATOM 24 C LIG 1 4.806 0.726 0.947 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.724 1.805 1.028 0.00 0.00 +0.023 A ATOM 26 C LIG 1 6.801 1.701 1.938 0.00 0.00 +0.124 A ATOM 27 N LIG 1 7.029 0.627 2.713 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 6.165 -0.395 2.607 0.00 0.00 +0.113 A ATOM 29 C LIG 1 5.542 2.933 0.198 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.475 3.014 -0.689 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.066 -0.391 1.766 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.565 1.968 -0.758 0.00 0.00 +0.024 A BRANCH 26 33 ATOM 33 N LIG 1 7.736 2.730 2.100 0.00 0.00 -0.343 N ATOM 34 H LIG 1 7.273 3.592 2.364 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 8.373 2.415 2.828 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6