REMARK Name = BDB037497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.558 -1.047 -1.816 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.898 0.098 -1.080 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.440 0.376 0.189 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -0.702 1.749 0.391 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -1.369 2.271 -0.649 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.259 -0.621 1.031 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.002 -1.641 0.151 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.699 1.190 -1.415 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.386 -1.923 -1.248 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.866 -2.860 -1.905 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.844 -1.203 1.914 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.006 -0.703 3.223 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.016 -1.185 4.058 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.868 -2.179 3.597 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -3.834 -2.650 4.397 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.731 -2.695 2.316 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.726 -2.210 1.475 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.834 1.287 -2.261 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.182 2.530 -2.810 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.311 2.642 -3.623 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.106 1.524 -3.871 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.785 0.295 -3.295 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.657 0.177 -2.481 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.404 -1.267 -0.139 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.741 -1.552 -1.054 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.346 -1.244 0.869 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.063 -1.354 2.055 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.766 -1.107 0.440 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.121 -0.436 -0.741 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.472 -0.319 -1.115 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.458 -0.875 -0.284 0.00 0.00 +0.012 A ATOM 32 C LIG 1 7.107 -1.539 0.893 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.765 -1.650 1.258 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.875 0.391 -2.386 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.625 1.503 -2.150 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.620 -0.402 -3.205 0.00 0.00 -0.166 F ATOM 37 F LIG 1 5.814 0.805 -3.134 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.633 -2.459 -3.588 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.811 -1.218 -3.253 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -0.358 2.609 1.564 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -1.599 2.971 2.216 0.00 0.00 -0.309 N ATOM 42 H LIG 1 -2.368 3.196 1.595 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -1.681 3.168 3.573 0.00 0.00 +0.227 C ATOM 44 O LIG 1 -0.720 3.016 4.323 0.00 0.00 -0.275 OA BRANCH 43 45 ATOM 45 C LIG 1 -3.043 3.578 4.080 0.00 0.00 +0.214 C BRANCH 45 46 ATOM 46 C LIG 1 -3.643 2.489 4.848 0.00 0.00 +0.072 C ATOM 47 N LIG 1 -4.159 1.638 5.446 0.00 0.00 -0.196 NA ENDBRANCH 45 46 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10