REMARK Name = BDB037857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.046 2.415 -0.347 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.004 1.396 -0.284 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.716 0.046 -0.270 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.954 -0.617 -0.485 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.944 0.290 -0.603 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.676 -0.473 -0.120 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.614 0.552 -0.804 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.388 1.459 -0.178 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.306 2.021 -0.400 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.232 2.829 -0.251 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.176 -2.069 -0.642 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.417 -2.600 -0.312 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.555 -1.924 0.330 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.605 -3.040 0.481 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -5.244 -4.029 -0.619 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -3.727 -3.982 -0.621 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.276 -2.802 -1.053 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -4.236 -1.357 1.657 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -3.982 -0.932 2.708 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 8 20 ATOM 20 C LIG 1 -3.228 2.416 0.449 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -4.575 2.504 0.069 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -5.424 3.408 0.708 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.941 4.208 1.743 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.611 4.099 2.148 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -2.755 3.199 1.511 0.00 0.00 +0.028 A ENDBRANCH 8 20 BRANCH 7 26 ATOM 26 N LIG 1 3.046 0.313 -0.604 0.00 0.00 -0.299 N ATOM 27 H LIG 1 3.539 1.011 -0.059 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 3.705 -0.729 -1.205 0.00 0.00 +0.245 C ATOM 29 O LIG 1 3.132 -1.587 -1.867 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 5.177 -0.802 -0.997 0.00 0.00 +0.037 A ATOM 31 C LIG 1 5.793 -2.060 -1.067 0.00 0.00 +0.025 A ATOM 32 C LIG 1 7.179 -2.193 -0.886 0.00 0.00 +0.056 A ATOM 33 C LIG 1 7.941 -1.044 -0.626 0.00 0.00 +0.012 A ATOM 34 C LIG 1 7.335 0.213 -0.572 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.957 0.337 -0.762 0.00 0.00 +0.013 A BRANCH 32 36 ATOM 36 C LIG 1 7.829 -3.554 -0.931 0.00 0.00 +0.417 C ATOM 37 F LIG 1 7.233 -4.405 -1.811 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.142 -3.507 -1.292 0.00 0.00 -0.166 F ATOM 39 F LIG 1 7.797 -4.180 0.278 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 7 26 BRANCH 6 40 ATOM 40 C LIG 1 1.126 -0.794 1.299 0.00 0.00 -0.001 C ATOM 41 C LIG 1 0.169 -1.149 2.415 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.930 0.148 2.464 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.123 4.210 -2.047 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.313 3.834 -0.582 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 8