REMARK Name = BDB037496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.706 -1.950 -1.236 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.128 -0.873 -0.447 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.747 -0.675 0.865 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -1.583 0.355 1.349 0.00 0.00 +0.078 A ATOM 5 N LIG 1 -2.428 0.779 0.395 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.316 -1.488 1.517 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.190 -2.168 0.440 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.991 0.178 -0.752 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.365 -2.729 -0.746 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.738 -3.752 -1.327 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.371 -2.451 2.477 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.052 -2.470 3.823 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.540 -3.328 4.751 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.552 -4.183 4.341 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.129 -5.001 5.229 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.978 -4.201 3.018 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.388 -3.341 2.090 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.292 0.791 -2.001 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.431 0.656 -3.099 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.726 1.301 -4.304 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.864 2.098 -4.411 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.706 2.264 -3.311 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.419 1.621 -2.106 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.185 -1.245 -0.130 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.083 -0.958 -1.100 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.283 -0.842 0.598 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.526 -1.233 1.733 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.176 0.148 -0.055 0.00 0.00 +0.037 A ATOM 29 C LIG 1 3.654 1.191 -0.834 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.509 2.152 -1.401 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.893 2.044 -1.178 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.410 1.007 -0.397 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.552 0.065 0.171 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 3.961 3.292 -2.226 0.00 0.00 +0.417 C ATOM 35 F LIG 1 4.385 4.510 -1.787 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.328 3.209 -3.534 0.00 0.00 -0.166 F ATOM 37 F LIG 1 2.599 3.351 -2.223 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -2.444 -3.622 -1.830 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.502 -2.533 -2.326 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.646 0.951 2.718 0.00 0.00 +0.153 C BRANCH 40 41 ATOM 41 C LIG 1 -1.226 2.413 2.716 0.00 0.00 +0.220 C ATOM 42 N LIG 1 -1.945 3.226 1.872 0.00 0.00 -0.302 N ATOM 43 H LIG 1 -2.520 2.761 1.165 0.00 0.00 +0.150 HD ATOM 44 O LIG 1 -0.334 2.843 3.442 0.00 0.00 -0.275 OA BRANCH 42 45 ATOM 45 C LIG 1 -1.604 4.623 1.700 0.00 0.00 +0.223 C BRANCH 45 46 ATOM 46 C LIG 1 -2.247 5.205 0.513 0.00 0.00 +0.081 C ATOM 47 N LIG 1 -2.746 5.643 -0.439 0.00 0.00 -0.195 NA ENDBRANCH 45 46 ENDBRANCH 42 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10