REMARK Name = BDB035045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.748 -0.965 1.349 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.323 -1.226 0.496 0.00 0.00 -0.283 N ATOM 3 O LIG 1 0.719 -1.145 2.563 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 4 C LIG 1 6.364 0.107 -1.765 0.00 0.00 +0.046 C ATOM 5 C LIG 1 5.576 0.908 -0.767 0.00 0.00 -0.020 A ATOM 6 C LIG 1 4.382 0.409 -0.249 0.00 0.00 +0.092 A ATOM 7 C LIG 1 3.706 1.239 0.677 0.00 0.00 +0.092 A ATOM 8 C LIG 1 2.513 0.771 1.197 0.00 0.00 +0.044 A ATOM 9 C LIG 1 2.007 -0.460 0.792 0.00 0.00 +0.057 A ATOM 10 C LIG 1 2.744 -1.225 -0.091 0.00 0.00 +0.124 A ATOM 11 N LIG 1 4.146 2.450 1.069 0.00 0.00 -0.231 NA ATOM 12 C LIG 1 5.302 2.892 0.558 0.00 0.00 +0.117 A ATOM 13 N LIG 1 3.910 -0.804 -0.628 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 6.039 2.167 -0.361 0.00 0.00 +0.048 A BRANCH 12 15 ATOM 15 N LIG 1 5.720 4.155 0.963 0.00 0.00 -0.343 N ATOM 16 H LIG 1 6.671 4.146 1.311 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 5.064 4.481 1.668 0.00 0.00 +0.144 HD ENDBRANCH 12 15 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 C LIG 1 -1.497 -1.911 1.099 0.00 0.00 +0.127 C ATOM 19 C LIG 1 -2.252 -2.837 0.152 0.00 0.00 +0.083 A ATOM 20 C LIG 1 -3.651 -2.901 0.160 0.00 0.00 +0.064 A ATOM 21 N LIG 1 -4.337 -3.761 -0.640 0.00 0.00 -0.257 NA ATOM 22 C LIG 1 -3.588 -4.563 -1.426 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -2.208 -4.524 -1.420 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -4.476 -2.011 1.045 0.00 0.00 +0.057 C ATOM 25 C LIG 1 -3.712 -1.573 2.288 0.00 0.00 +0.008 C ATOM 26 N LIG 1 -1.512 -3.676 -0.632 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -2.393 -0.927 1.882 0.00 0.00 +0.029 C ENDBRANCH 2 18 BRANCH 2 28 ATOM 28 C LIG 1 -0.436 -0.678 -0.874 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.361 0.516 -0.987 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -2.629 0.281 -1.412 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -3.470 1.336 -1.504 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -3.120 2.636 -1.176 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -1.812 2.860 -0.740 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -0.923 1.791 -0.640 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -4.121 3.738 -1.327 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -3.791 4.864 -0.635 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.363 3.387 -0.892 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.275 4.127 -2.622 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 6