REMARK Name = BDB037488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.700 -2.911 0.618 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.314 -1.966 0.397 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.353 -0.722 0.995 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.115 0.065 0.093 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.730 -0.717 -0.815 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.516 -0.481 2.183 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.917 -1.008 1.834 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.419 -1.989 -0.442 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.810 -2.511 1.417 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.738 -3.289 1.658 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.288 0.917 2.715 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.250 1.935 2.638 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.984 3.213 3.139 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.240 3.481 3.736 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.492 4.708 4.208 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.204 2.491 3.853 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.938 1.214 3.354 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.303 -3.045 -0.786 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.134 -2.908 -1.908 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.043 -3.917 -2.232 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.142 -5.052 -1.428 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.342 -5.176 -0.292 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.430 -4.171 0.037 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -1.170 1.530 -0.013 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -2.405 2.169 0.175 0.00 0.00 -0.283 N ATOM 26 C LIG 1 -2.409 3.614 -0.002 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -0.138 2.151 -0.265 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.690 1.446 0.332 0.00 0.00 +0.181 C BRANCH 28 29 ATOM 29 C LIG 1 -4.536 2.004 1.414 0.00 0.00 +0.085 C ATOM 30 N LIG 1 -5.195 2.447 2.261 0.00 0.00 -0.195 NA ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.463 1.271 -0.985 0.00 0.00 +0.065 C BRANCH 31 32 ATOM 32 C LIG 1 -5.213 2.499 -1.489 0.00 0.00 +0.158 C BRANCH 32 33 ATOM 33 O LIG 1 -5.907 2.137 -2.678 0.00 0.00 -0.395 OA ATOM 34 H LIG 1 -6.399 2.922 -2.977 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 35 ATOM 35 N LIG 1 2.569 -0.304 0.718 0.00 0.00 -0.299 N ATOM 36 H LIG 1 2.010 -0.075 -0.093 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 3.920 -0.044 0.716 0.00 0.00 +0.245 C ATOM 38 O LIG 1 4.638 -0.218 1.692 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 4.488 0.531 -0.536 0.00 0.00 +0.037 A ATOM 40 C LIG 1 5.641 1.324 -0.435 0.00 0.00 +0.025 A ATOM 41 C LIG 1 6.221 1.896 -1.578 0.00 0.00 +0.056 A ATOM 42 C LIG 1 5.642 1.642 -2.831 0.00 0.00 +0.012 A ATOM 43 C LIG 1 4.505 0.840 -2.938 0.00 0.00 +0.001 A ATOM 44 C LIG 1 3.929 0.282 -1.795 0.00 0.00 +0.013 A BRANCH 41 45 ATOM 45 C LIG 1 7.470 2.736 -1.462 0.00 0.00 +0.417 C ATOM 46 F LIG 1 7.526 3.454 -0.306 0.00 0.00 -0.166 F ATOM 47 F LIG 1 7.593 3.647 -2.469 0.00 0.00 -0.166 F ATOM 48 F LIG 1 8.604 1.986 -1.497 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 50 ATOM 49 C LIG 1 1.692 -3.828 -1.455 0.00 0.00 +0.025 C ATOM 50 C LIG 1 0.907 -4.122 -0.182 0.00 0.00 +0.112 C ENDBRANCH 1 50 TORSDOF 12