REMARK Name = BDB041150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.861 0.497 -0.201 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.575 0.093 -0.189 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.625 1.041 -0.104 0.00 0.00 +0.165 A ATOM 4 C LIG 1 -1.957 2.385 0.030 0.00 0.00 +0.178 A ATOM 5 C LIG 1 -3.298 2.699 -0.006 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -4.273 1.777 -0.109 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -5.034 -1.345 -1.389 0.00 0.00 +0.229 A ATOM 8 C LIG 1 -4.878 -0.535 -0.273 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -5.759 -0.791 0.778 0.00 0.00 +0.062 A ATOM 10 N LIG 1 -6.701 -1.769 0.693 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -6.744 -2.488 -0.433 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -5.954 -2.326 -1.495 0.00 0.00 -0.201 NA BRANCH 9 13 ATOM 13 C LIG 1 -5.720 0.000 2.075 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.551 -0.154 3.023 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -5.891 -0.705 3.402 0.00 0.00 +0.010 C ENDBRANCH 9 13 BRANCH 7 17 ATOM 16 C LIG 1 -4.399 -2.010 -3.555 0.00 0.00 +0.279 C ATOM 17 O LIG 1 -4.208 -1.105 -2.475 0.00 0.00 -0.479 OA ENDBRANCH 7 17 ENDBRANCH 1 8 BRANCH 3 18 ATOM 18 N LIG 1 -0.267 0.667 -0.074 0.00 0.00 -0.322 N ATOM 19 H LIG 1 0.259 1.319 -0.650 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -0.019 -0.718 -0.446 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.475 -0.940 -0.529 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.120 -1.015 -1.770 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.502 -1.218 -1.840 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.265 -1.334 -0.672 0.00 0.00 +0.017 A ATOM 25 C LIG 1 3.618 -1.267 0.567 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.238 -1.062 0.640 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.711 -1.552 -0.718 0.00 0.00 +0.141 A ATOM 28 N LIG 1 6.619 -0.774 -1.403 0.00 0.00 -0.333 N ATOM 29 C LIG 1 6.343 0.435 -2.142 0.00 0.00 +0.150 C ATOM 30 C LIG 1 7.867 -1.304 -1.218 0.00 0.00 +0.119 A ATOM 31 C LIG 1 7.696 -2.385 -0.372 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.349 -2.507 -0.064 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 8.735 -3.316 0.182 0.00 0.00 +0.436 C ATOM 34 F LIG 1 8.420 -4.624 -0.001 0.00 0.00 -0.164 F ATOM 35 F LIG 1 8.929 -3.133 1.515 0.00 0.00 -0.164 F ATOM 36 F LIG 1 9.948 -3.127 -0.410 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 4 37 ATOM 37 O LIG 1 -1.008 3.363 0.116 0.00 0.00 -0.484 OA BRANCH 37 38 ATOM 38 C LIG 1 -0.699 3.668 1.489 0.00 0.00 +0.168 C ATOM 39 C LIG 1 0.811 3.562 1.671 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -1.167 5.091 1.777 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 10