REMARK Name = BDB037483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.123 -2.495 0.194 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.759 -1.584 0.785 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.593 -0.215 0.775 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.819 0.326 1.247 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.683 -0.664 1.530 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.646 0.438 0.262 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.801 -0.596 0.313 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.942 -1.809 1.483 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.416 -2.036 -0.146 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.249 -2.791 -0.658 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.242 1.075 -1.059 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.298 2.479 -1.181 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.086 3.116 -2.363 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.528 2.357 -3.436 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.898 2.968 -4.569 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.592 0.974 -3.349 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.211 0.336 -2.167 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.357 -2.934 2.253 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.701 -3.052 2.635 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.119 -4.136 3.411 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.200 -5.095 3.828 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.857 -4.968 3.480 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.432 -3.886 2.703 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.101 -0.122 -0.170 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.728 0.283 0.512 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.406 0.003 -1.508 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.648 -0.297 -2.421 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.751 0.561 -1.821 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.862 0.312 -1.002 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.118 0.855 -1.323 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.246 1.633 -2.486 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.145 1.864 -3.312 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.901 1.326 -2.983 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.324 0.584 -0.456 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.046 1.708 -0.195 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.002 0.063 0.761 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.188 -0.298 -1.026 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.137 1.758 1.429 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.458 2.211 1.285 0.00 0.00 -0.276 N ATOM 40 O LIG 1 -1.230 2.547 1.705 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -3.728 3.675 1.557 0.00 0.00 +0.129 C ATOM 42 C LIG 1 -4.150 4.509 0.335 0.00 0.00 +0.184 C ATOM 43 O LIG 1 -5.536 4.493 0.775 0.00 0.00 -0.376 OA ATOM 44 C LIG 1 -5.111 4.064 2.098 0.00 0.00 +0.184 C ENDBRANCH 39 41 BRANCH 39 45 ATOM 45 C LIG 1 -4.517 1.389 0.670 0.00 0.00 +0.227 C BRANCH 45 46 ATOM 46 C LIG 1 -5.366 0.691 1.651 0.00 0.00 +0.082 C ATOM 47 N LIG 1 -6.074 0.163 2.405 0.00 0.00 -0.195 NA ENDBRANCH 45 46 ENDBRANCH 39 45 ENDBRANCH 4 38 BRANCH 1 49 ATOM 48 C LIG 1 -0.554 -3.759 -1.834 0.00 0.00 +0.025 C ATOM 49 C LIG 1 -0.275 -3.805 -0.336 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 10