REMARK Name = BDB003785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.099 -1.492 -0.295 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.398 -2.188 0.371 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.204 -0.747 -0.696 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -3.368 -1.120 -0.149 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -4.508 -0.447 -0.463 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -5.713 -0.886 0.141 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -6.495 0.024 0.881 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -7.006 1.180 0.282 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.875 1.470 -1.164 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -5.668 1.294 -1.851 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -5.596 1.893 -3.184 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -7.859 1.988 -1.703 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -7.784 2.088 1.028 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.044 1.872 2.379 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -7.529 0.742 3.007 0.00 0.00 -0.048 A ATOM 16 C LIG 1 -7.823 0.473 4.454 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -6.778 -0.174 2.252 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.627 -2.260 0.647 0.00 0.00 +0.151 C ATOM 19 C LIG 1 -4.504 0.612 -1.370 0.00 0.00 +0.106 A ATOM 20 C LIG 1 -3.247 0.901 -1.880 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -2.106 0.259 -1.561 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 25 ATOM 22 C LIG 1 3.070 -1.455 -1.110 0.00 0.00 -0.022 A ATOM 23 C LIG 1 2.234 -0.507 -1.738 0.00 0.00 +0.061 A ATOM 24 C LIG 1 0.847 -0.521 -1.464 0.00 0.00 +0.036 A ATOM 25 C LIG 1 0.267 -1.444 -0.589 0.00 0.00 +0.034 A ATOM 26 C LIG 1 1.115 -2.378 0.018 0.00 0.00 +0.023 A ATOM 27 C LIG 1 2.488 -2.387 -0.237 0.00 0.00 +0.007 A BRANCH 23 28 ATOM 28 C LIG 1 2.779 0.526 -2.697 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.393 -0.036 -3.776 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.710 1.339 -2.119 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.835 1.364 -3.210 0.00 0.00 -0.166 F ENDBRANCH 23 28 BRANCH 22 32 ATOM 32 C LIG 1 4.569 -1.525 -1.355 0.00 0.00 +0.120 C BRANCH 32 36 ATOM 33 N LIG 1 7.856 0.277 0.345 0.00 0.00 -0.300 NA ATOM 34 C LIG 1 6.522 0.853 0.063 0.00 0.00 +0.100 C ATOM 35 C LIG 1 5.328 -0.048 0.457 0.00 0.00 +0.100 C ATOM 36 N LIG 1 5.356 -1.410 -0.118 0.00 0.00 -0.296 NA ATOM 37 C LIG 1 6.748 -1.849 -0.365 0.00 0.00 +0.100 C ATOM 38 C LIG 1 7.770 -1.179 0.576 0.00 0.00 +0.100 C BRANCH 33 40 ATOM 39 C LIG 1 9.060 2.322 1.071 0.00 0.00 +0.020 C ATOM 40 C LIG 1 8.552 0.936 1.455 0.00 0.00 +0.081 C ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 22 32 ENDBRANCH 1 25 TORSDOF 6