REMARK Name = BDB037384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.877 -1.933 -0.629 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.701 -0.802 -0.715 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.316 0.472 -0.349 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.317 1.327 -0.865 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -3.252 0.626 -1.524 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -0.050 0.749 0.385 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.470 -0.559 1.022 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.996 -0.675 -1.207 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.335 -1.780 0.074 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.246 -2.615 0.011 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.902 1.422 -0.601 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.503 2.640 -0.222 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.399 3.294 -1.069 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.709 2.733 -2.300 0.00 0.00 +0.123 A ATOM 15 F LIG 1 3.567 3.361 -3.115 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.143 1.529 -2.696 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.246 0.873 -1.849 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.061 -1.616 -1.255 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.157 -1.372 -2.096 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.229 -2.266 -2.129 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.223 -3.394 -1.310 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.151 -3.626 -0.450 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.074 -2.736 -0.412 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.860 -0.496 1.487 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.442 -1.288 1.229 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.252 0.356 2.489 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.486 1.150 3.022 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.673 0.270 2.925 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.686 -0.196 2.077 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.020 -0.253 2.521 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.323 0.185 3.820 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.318 0.663 4.662 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.998 0.709 4.214 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.112 -0.736 1.598 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.176 -1.271 2.259 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.615 0.263 0.824 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.686 -1.701 0.736 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.264 -2.836 -2.860 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.975 -3.084 -1.535 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.404 2.826 -0.787 0.00 0.00 +0.173 C BRANCH 40 41 ATOM 41 N LIG 1 -3.434 3.242 0.217 0.00 0.00 -0.267 N ATOM 42 C LIG 1 -4.810 3.228 -0.343 0.00 0.00 +0.141 C BRANCH 41 43 ATOM 43 C LIG 1 -3.222 3.092 1.533 0.00 0.00 +0.169 C ATOM 44 N LIG 1 -3.046 2.942 2.667 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9