REMARK Name = BDB038555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.264 0.902 0.173 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.094 1.635 -0.049 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.583 2.544 0.578 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.481 1.097 -1.271 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.687 1.489 -1.899 0.00 0.00 +0.019 A ATOM 6 C LIG 1 1.072 0.806 -3.062 0.00 0.00 -0.021 A ATOM 7 C LIG 1 0.261 -0.242 -3.557 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.930 -0.626 -2.909 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.278 0.066 -1.752 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -2.455 -0.115 -0.849 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.309 0.455 2.332 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -4.316 0.249 1.356 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -3.221 1.120 1.203 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.124 2.204 2.080 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.095 2.425 3.061 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.180 1.561 3.182 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -7.409 -0.698 1.467 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -6.447 -0.476 2.479 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -6.580 -1.187 3.690 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.633 -2.079 3.902 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.584 -2.276 2.909 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -8.474 -1.589 1.701 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -6.947 -2.016 -1.303 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -7.167 -0.619 -1.043 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -7.355 -0.011 0.176 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -7.466 1.288 -0.032 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -7.366 1.526 -1.384 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.186 0.371 -1.976 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.784 -1.754 -3.421 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.429 -2.194 -4.657 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.740 -2.842 -2.604 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.102 -1.415 -3.506 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 2.346 1.195 -3.771 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 3.475 1.074 -2.908 0.00 0.00 -0.372 OA BRANCH 34 35 ATOM 35 C LIG 1 3.959 -0.265 -2.754 0.00 0.00 +0.122 C ATOM 36 C LIG 1 5.438 -0.292 -3.139 0.00 0.00 +0.050 C ATOM 37 C LIG 1 6.292 0.514 -2.166 0.00 0.00 +0.113 C ATOM 38 N LIG 1 6.053 0.129 -0.781 0.00 0.00 -0.267 N ATOM 39 C LIG 1 7.093 0.299 0.127 0.00 0.00 +0.403 C ATOM 40 O LIG 1 8.244 0.559 -0.203 0.00 0.00 -0.226 OA ATOM 41 C LIG 1 4.657 0.109 -0.351 0.00 0.00 +0.113 C ATOM 42 C LIG 1 3.787 -0.708 -1.301 0.00 0.00 +0.050 C BRANCH 39 43 ATOM 43 O LIG 1 6.686 0.135 1.412 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C LIG 1 7.616 0.265 2.518 0.00 0.00 +0.107 C ATOM 45 C LIG 1 6.765 0.002 3.770 0.00 0.00 +0.055 C ATOM 46 C LIG 1 8.186 1.685 2.604 0.00 0.00 +0.055 C ATOM 47 C LIG 1 8.720 -0.796 2.447 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 39 43 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9