REMARK Name = BDB020741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.865 0.230 -1.197 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.209 -0.787 -0.355 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.905 -2.123 -0.345 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.951 -0.455 0.286 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.486 0.854 0.041 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.884 1.804 -0.792 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.654 2.957 -0.799 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.757 2.720 0.054 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.639 1.438 0.538 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.344 1.449 -1.409 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.336 4.167 -1.549 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.182 5.432 -0.936 0.00 0.00 +0.129 A ATOM 13 N LIG 1 -0.942 6.547 -1.676 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -0.850 6.422 -3.018 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -0.988 5.227 -3.694 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -1.241 4.085 -2.946 0.00 0.00 +0.013 A BRANCH 12 17 ATOM 17 N LIG 1 -1.265 5.572 0.474 0.00 0.00 -0.321 N ATOM 18 C LIG 1 -1.701 6.912 0.869 0.00 0.00 +0.130 C ATOM 19 C LIG 1 0.001 5.170 1.092 0.00 0.00 +0.130 C ENDBRANCH 12 17 ENDBRANCH 7 11 BRANCH 1 22 ATOM 20 N LIG 1 3.230 0.120 -0.926 0.00 0.00 -0.307 N ATOM 21 H LIG 1 3.027 0.501 -0.007 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 2.200 0.019 -1.826 0.00 0.00 +0.245 C ATOM 23 O LIG 1 2.325 -0.201 -3.023 0.00 0.00 -0.270 OA BRANCH 20 24 ATOM 24 C LIG 1 4.612 0.161 -1.351 0.00 0.00 +0.149 C BRANCH 24 26 ATOM 25 C LIG 1 6.174 -1.647 -0.539 0.00 0.00 +0.132 A ATOM 26 C LIG 1 5.466 -0.521 -0.333 0.00 0.00 +0.075 A ATOM 27 C LIG 1 5.573 0.128 1.008 0.00 0.00 +0.257 A ATOM 28 O LIG 1 4.905 1.115 1.303 0.00 0.00 -0.267 OA ATOM 29 N LIG 1 6.442 -0.446 1.904 0.00 0.00 -0.326 N ATOM 30 H LIG 1 6.508 0.018 2.803 0.00 0.00 +0.169 HD ATOM 31 C LIG 1 7.187 -1.574 1.655 0.00 0.00 +0.019 A ATOM 32 C LIG 1 8.093 -2.053 2.746 0.00 0.00 +0.063 C ATOM 33 C LIG 1 7.068 -2.180 0.464 0.00 0.00 +0.067 A BRANCH 25 35 ATOM 34 C LIG 1 5.141 -3.274 -1.820 0.00 0.00 +0.277 C ATOM 35 O LIG 1 6.199 -2.316 -1.744 0.00 0.00 -0.495 OA ENDBRANCH 25 35 ENDBRANCH 24 26 ENDBRANCH 20 24 ENDBRANCH 1 22 BRANCH 4 36 ATOM 36 C LIG 1 -1.731 -1.318 1.303 0.00 0.00 +0.101 C ATOM 37 C LIG 1 -0.963 -2.400 2.084 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -3.012 -1.794 0.757 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 -3.998 -2.210 1.760 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -5.324 -2.599 1.073 0.00 0.00 +0.100 C ATOM 41 N LIG 1 -5.208 -3.766 0.171 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 -3.818 -3.975 -0.272 0.00 0.00 +0.100 C ATOM 43 C LIG 1 -2.944 -2.703 -0.395 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 -6.146 -3.658 -0.979 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 -7.656 -3.566 -0.677 0.00 0.00 +0.402 C ATOM 46 F LIG 1 -8.092 -4.617 0.052 0.00 0.00 -0.169 F ATOM 47 F LIG 1 -7.975 -2.434 -0.009 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -8.361 -3.558 -1.834 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10