REMARK Name = BDB037486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.251 2.621 -1.055 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.045 2.083 -1.026 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.341 0.781 -0.683 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.744 0.749 -0.454 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.276 1.962 -0.691 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.708 -0.263 -0.518 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.011 0.212 -1.199 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.272 2.695 -1.247 0.00 0.00 -0.217 N ATOM 9 C LIG 1 2.317 1.706 -0.921 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.473 2.064 -0.664 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.820 -0.556 0.976 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.083 0.427 1.947 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.195 0.085 3.297 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.053 -1.240 3.687 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.167 -1.564 4.982 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.802 -2.233 2.752 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.685 -1.893 1.404 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.609 3.807 -2.067 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.827 4.472 -1.858 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.190 5.541 -2.680 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.351 5.941 -3.719 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.153 5.265 -3.948 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.784 4.194 -3.131 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.182 -0.594 -0.850 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.971 -0.093 -0.454 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.322 -1.884 -1.300 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.496 -2.431 -2.021 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.555 -2.603 -0.882 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.188 -2.332 0.339 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.341 -3.043 0.715 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.836 -4.039 -0.142 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.197 -4.319 -1.351 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.057 -3.606 -1.718 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.004 -2.774 2.045 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.326 -3.101 2.061 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.431 -3.477 3.060 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.941 -1.463 2.412 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.526 -0.425 -0.006 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.688 -0.254 0.760 0.00 0.00 -0.283 N ATOM 40 O LIG 1 -2.137 -1.560 -0.293 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.340 -1.456 1.288 0.00 0.00 +0.120 C BRANCH 41 42 ATOM 42 C LIG 1 -5.288 -2.078 0.269 0.00 0.00 +0.139 C BRANCH 42 43 ATOM 43 C LIG 1 -5.970 -3.284 0.857 0.00 0.00 +0.308 C ATOM 44 O LIG 1 -6.115 -3.490 2.054 0.00 0.00 -0.251 OA BRANCH 43 45 ATOM 45 O LIG 1 -6.441 -4.085 -0.139 0.00 0.00 -0.468 OA ATOM 46 C LIG 1 -7.107 -5.261 0.324 0.00 0.00 +0.280 C ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 BRANCH 39 47 ATOM 47 C LIG 1 -4.272 1.041 1.131 0.00 0.00 +0.227 C BRANCH 47 48 ATOM 48 C LIG 1 -3.509 1.744 2.179 0.00 0.00 +0.082 C ATOM 49 N LIG 1 -2.943 2.312 3.020 0.00 0.00 -0.195 NA ENDBRANCH 47 48 ENDBRANCH 39 47 ENDBRANCH 4 38 BRANCH 1 51 ATOM 50 C LIG 1 1.580 4.336 0.713 0.00 0.00 +0.025 C ATOM 51 C LIG 1 1.555 4.030 -0.779 0.00 0.00 +0.112 C ENDBRANCH 1 51 TORSDOF 13