REMARK Name = BDB063500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.912 -1.677 -0.077 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -2.503 -0.999 1.075 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.589 -1.593 1.959 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -1.100 -2.869 1.688 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.153 -3.493 2.625 0.00 0.00 +0.272 A ATOM 6 N LIG 1 0.181 -2.750 3.728 0.00 0.00 -0.242 N ATOM 7 H LIG 1 0.834 -3.163 4.388 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -0.262 -1.498 4.016 0.00 0.00 -0.175 NA ATOM 9 O LIG 1 0.300 -4.613 2.424 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -1.508 -3.554 0.539 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.095 -0.929 3.195 0.00 0.00 +0.074 A ATOM 12 C LIG 1 -2.412 -2.955 -0.338 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -3.791 -1.210 -1.015 0.00 0.00 -0.484 OA BRANCH 13 14 ATOM 14 C LIG 1 -4.271 0.125 -0.851 0.00 0.00 +0.303 C BRANCH 14 17 ATOM 15 C LIG 1 -6.821 -1.383 -1.732 0.00 0.00 +0.152 C ATOM 16 N LIG 1 -6.244 -0.256 -2.430 0.00 0.00 -0.309 N ATOM 17 C LIG 1 -5.113 0.448 -2.045 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -4.897 1.468 -2.859 0.00 0.00 -0.235 NA ATOM 19 C LIG 1 -5.878 1.410 -3.813 0.00 0.00 +0.164 A ATOM 20 C LIG 1 -6.705 0.344 -3.575 0.00 0.00 +0.215 A BRANCH 20 21 ATOM 21 N LIG 1 -7.831 -0.074 -4.337 0.00 0.00 +0.075 N ATOM 22 O LIG 1 -8.242 0.719 -5.191 0.00 0.00 -0.125 OA ATOM 23 O LIG 1 -8.309 -1.188 -4.096 0.00 0.00 -0.125 OA ENDBRANCH 20 21 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 11 24 ATOM 24 C LIG 1 -1.546 0.486 3.542 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -0.857 1.550 2.715 0.00 0.00 -0.041 A ATOM 26 C LIG 1 0.545 1.607 2.653 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.172 2.596 1.889 0.00 0.00 +0.072 A ATOM 28 C LIG 1 0.418 3.550 1.215 0.00 0.00 +0.135 A ATOM 29 F LIG 1 1.010 4.506 0.486 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -0.971 3.515 1.281 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -1.607 2.523 2.032 0.00 0.00 +0.007 A BRANCH 27 32 ATOM 32 C LIG 1 2.639 2.652 1.853 0.00 0.00 +0.249 C ATOM 33 N LIG 1 3.292 2.119 0.748 0.00 0.00 -0.294 N ATOM 34 C LIG 1 2.611 1.497 -0.399 0.00 0.00 +0.127 C ATOM 35 C LIG 1 3.563 1.136 -1.548 0.00 0.00 +0.127 C ATOM 36 N LIG 1 4.720 0.372 -1.080 0.00 0.00 -0.298 N ATOM 37 C LIG 1 5.176 -0.698 -1.834 0.00 0.00 +0.219 C ATOM 38 O LIG 1 4.676 -1.039 -2.900 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 5.314 0.784 0.199 0.00 0.00 +0.127 C ATOM 40 C LIG 1 4.757 2.113 0.725 0.00 0.00 +0.127 C ATOM 41 O LIG 1 3.211 3.126 2.830 0.00 0.00 -0.270 OA BRANCH 37 42 ATOM 42 C LIG 1 6.331 -1.463 -1.285 0.00 0.00 +0.075 C ATOM 43 C LIG 1 7.240 -2.238 -2.213 0.00 0.00 +0.013 C ATOM 44 C LIG 1 7.745 -0.996 -1.546 0.00 0.00 +0.013 C ENDBRANCH 37 42 ENDBRANCH 27 32 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 8