REMARK Name = BDB053693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.736 4.076 1.240 0.00 0.00 +0.216 A ATOM 2 N LIG 1 -0.623 4.271 1.973 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 0.298 3.281 2.027 0.00 0.00 +0.125 A ATOM 4 C LIG 1 0.112 2.083 1.321 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.901 0.909 1.163 0.00 0.00 +0.067 A ATOM 6 C LIG 1 0.170 0.007 0.393 0.00 0.00 +0.037 A ATOM 7 N LIG 1 -0.997 0.648 -0.004 0.00 0.00 -0.340 N ATOM 8 C LIG 1 -1.053 1.910 0.572 0.00 0.00 +0.057 A ATOM 9 C LIG 1 -2.016 2.925 0.517 0.00 0.00 +0.093 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.203 0.668 1.773 0.00 0.00 +0.249 C ATOM 11 N LIG 1 3.279 0.437 0.907 0.00 0.00 -0.295 N ATOM 12 C LIG 1 3.321 1.009 -0.445 0.00 0.00 +0.129 C ATOM 13 CA LIG 1 4.363 0.330 -1.357 0.00 0.00 +0.097 C ATOM 14 N LIG 1 5.704 0.173 -0.727 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 6.092 1.109 -0.587 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 5.584 -0.463 0.601 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.586 0.240 1.534 0.00 0.00 +0.123 C ATOM 18 O LIG 1 2.327 0.676 2.995 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 19 C LIG 1 3.847 -1.021 -1.891 0.00 0.00 +0.176 C BRANCH 19 20 ATOM 20 O LIG 1 4.851 -1.627 -2.706 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 5.695 -1.409 -2.259 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 C LIG 1 -2.036 0.063 -0.859 0.00 0.00 +0.088 C ATOM 23 C LIG 1 -3.348 -0.201 -0.109 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -4.329 -1.009 -0.964 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -4.227 -0.713 -2.462 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -3.662 0.675 -2.740 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -2.247 0.832 -2.179 0.00 0.00 +0.025 C ENDBRANCH 7 22 BRANCH 1 29 ATOM 28 C LIG 1 -2.372 6.211 1.958 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -2.695 5.071 1.169 0.00 0.00 -0.480 OA ENDBRANCH 1 29 BRANCH 6 30 ATOM 30 C LIG 1 0.518 -1.422 0.050 0.00 0.00 +0.089 C BRANCH 30 31 ATOM 31 C LIG 1 -0.365 -2.463 0.718 0.00 0.00 -0.036 A ATOM 32 C LIG 1 -0.853 -3.591 0.019 0.00 0.00 -0.012 A ATOM 33 C LIG 1 -0.537 -3.839 -1.430 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -1.671 -4.505 0.699 0.00 0.00 +0.127 A ATOM 35 F LIG 1 -2.171 -5.567 0.049 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -1.985 -4.351 2.044 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -1.474 -3.267 2.746 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -0.666 -2.336 2.090 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7