REMARK Name = BDB032814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.346 3.463 0.159 0.00 0.00 +0.269 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 -5.386 0.120 -0.241 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -4.662 0.821 0.712 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -4.903 0.961 1.896 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.489 1.378 0.029 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -3.497 0.922 -1.286 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -2.487 1.289 -2.156 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -1.473 2.126 -1.674 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.472 2.593 -0.338 0.00 0.00 -0.010 A ATOM 10 C LIG 1 -2.498 2.200 0.533 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.673 0.032 -1.508 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -8.957 -3.159 2.377 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -8.220 -2.405 1.749 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -6.913 -2.742 1.497 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.599 -3.620 1.886 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.008 -2.081 0.698 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -4.918 -2.592 0.442 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.501 -0.770 0.065 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -7.581 -0.127 0.934 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.718 -1.116 1.138 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 O LIG 1 0.634 2.644 0.808 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 1.699 2.280 0.049 0.00 0.00 +0.405 C ATOM 23 N LIG 1 2.501 1.476 0.811 0.00 0.00 -0.251 N ATOM 24 H LIG 1 2.134 1.313 1.739 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 1.875 2.629 -1.107 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 3.712 0.861 0.453 0.00 0.00 +0.042 A ATOM 27 C LIG 1 4.318 1.000 -0.793 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.527 0.350 -1.065 0.00 0.00 +0.136 A ATOM 29 F LIG 1 6.067 0.532 -2.280 0.00 0.00 -0.205 F ATOM 30 C LIG 1 6.176 -0.457 -0.120 0.00 0.00 +0.053 A ATOM 31 C LIG 1 5.543 -0.578 1.124 0.00 0.00 +0.136 A ATOM 32 F LIG 1 6.085 -1.339 2.089 0.00 0.00 -0.205 F ATOM 33 C LIG 1 4.336 0.064 1.413 0.00 0.00 +0.062 A BRANCH 30 34 ATOM 34 C LIG 1 7.449 -1.139 -0.418 0.00 0.00 -0.012 A ATOM 35 C LIG 1 7.624 -1.869 -1.608 0.00 0.00 +0.009 A ATOM 36 C LIG 1 8.831 -2.517 -1.892 0.00 0.00 +0.001 A ATOM 37 C LIG 1 9.888 -2.448 -0.990 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.740 -1.732 0.194 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.533 -1.085 0.476 0.00 0.00 +0.009 A ENDBRANCH 30 34 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6