REMARK Name = BDB031379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.225 -0.560 1.029 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -0.929 0.430 2.093 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.285 -0.014 2.946 0.00 0.00 +0.103 C ATOM 4 N LIG 1 1.508 -0.361 2.186 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 1.134 -1.358 1.155 0.00 0.00 +0.103 C ATOM 6 C LIG 1 -0.042 -0.950 0.235 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.918 0.007 -0.861 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -4.903 -0.098 0.489 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 -3.686 -0.286 1.052 0.00 0.00 +0.235 A ATOM 10 F LIG 1 -3.699 -0.445 2.387 0.00 0.00 -0.182 F ATOM 11 C LIG 1 -2.451 -0.362 0.366 0.00 0.00 +0.085 A ATOM 12 C LIG 1 -2.548 -0.262 -1.029 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -3.783 -0.071 -1.653 0.00 0.00 +0.035 A BRANCH 7 15 ATOM 14 O LIG 1 -6.375 0.350 -2.707 0.00 0.00 -0.269 OA ATOM 15 C LIG 1 -6.258 0.217 -1.494 0.00 0.00 +0.263 C ATOM 16 N LIG 1 -7.304 0.247 -0.593 0.00 0.00 -0.307 N ATOM 17 H LIG 1 -7.059 0.133 0.388 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 C LIG 1 -8.662 0.431 -0.978 0.00 0.00 +0.073 C ATOM 19 C LIG 1 -9.777 0.187 0.002 0.00 0.00 +0.024 C ATOM 20 C LIG 1 -9.573 -0.751 -1.151 0.00 0.00 +0.024 C ENDBRANCH 16 18 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 2.136 0.842 1.615 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 C LIG 1 3.515 0.576 1.059 0.00 0.00 +0.004 A ATOM 23 C LIG 1 3.786 0.773 -0.300 0.00 0.00 +0.152 A ATOM 24 F LIG 1 2.809 1.187 -1.123 0.00 0.00 -0.203 F ATOM 25 C LIG 1 5.057 0.533 -0.818 0.00 0.00 +0.089 A ATOM 26 N LIG 1 5.316 0.734 -2.202 0.00 0.00 -0.319 N ATOM 27 H LIG 1 4.564 1.057 -2.799 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 6.543 0.522 -2.820 0.00 0.00 +0.260 A ATOM 29 C LIG 1 7.602 0.064 -1.945 0.00 0.00 +0.085 A ATOM 30 C LIG 1 7.350 -0.129 -0.609 0.00 0.00 +0.149 A ATOM 31 O LIG 1 8.445 -0.555 0.057 0.00 0.00 -0.462 OA ATOM 32 C LIG 1 9.433 -0.639 -0.882 0.00 0.00 +0.196 A ATOM 33 C LIG 1 8.963 -0.269 -2.128 0.00 0.00 +0.055 A ATOM 34 O LIG 1 6.700 0.714 -4.021 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 6.083 0.086 0.039 0.00 0.00 +0.044 A ATOM 36 C LIG 1 5.833 -0.116 1.394 0.00 0.00 +0.014 A ATOM 37 C LIG 1 4.552 0.128 1.900 0.00 0.00 +0.008 A ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 5