REMARK Name = BDB040764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.732 2.384 0.029 0.00 0.00 +0.111 C ATOM 2 C LIG 1 -1.330 1.279 0.921 0.00 0.00 +0.129 C ATOM 3 N LIG 1 -2.614 1.638 0.378 0.00 0.00 -0.326 N ATOM 4 C LIG 1 -2.029 2.239 -0.788 0.00 0.00 +0.129 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -3.803 0.886 0.443 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -4.011 -0.048 1.463 0.00 0.00 +0.062 A ATOM 7 C LIG 1 -5.195 -0.783 1.525 0.00 0.00 +0.132 A ATOM 8 F LIG 1 -5.350 -1.664 2.524 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -6.212 -0.614 0.587 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -6.004 0.332 -0.417 0.00 0.00 +0.132 A ATOM 11 F LIG 1 -6.959 0.549 -1.333 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.826 1.074 -0.493 0.00 0.00 +0.062 A BRANCH 9 13 ATOM 13 C LIG 1 -7.484 -1.427 0.669 0.00 0.00 +0.111 C ATOM 14 C LIG 1 -7.753 -2.218 -0.610 0.00 0.00 +0.227 C ATOM 15 O LIG 1 -6.864 -2.701 -1.309 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 -9.073 -2.447 -0.920 0.00 0.00 -0.256 N ATOM 17 H LIG 1 -9.240 -2.992 -1.755 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 -10.183 -2.141 -0.174 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -11.300 -2.521 -0.513 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -9.942 -1.391 1.113 0.00 0.00 +0.097 C ATOM 21 C LIG 1 -8.684 -0.542 1.023 0.00 0.00 +0.027 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 1.654 1.680 -0.049 0.00 0.00 +0.401 C ATOM 23 N LIG 1 0.504 2.031 -0.691 0.00 0.00 -0.275 N ATOM 24 H LIG 1 0.572 2.062 -1.699 0.00 0.00 +0.152 HD ATOM 25 O LIG 1 1.784 1.597 1.162 0.00 0.00 -0.226 OA BRANCH 22 26 ATOM 26 O LIG 1 2.619 1.433 -0.967 0.00 0.00 -0.444 OA BRANCH 26 29 ATOM 27 C LIG 1 5.634 0.547 0.158 0.00 0.00 +0.058 C ATOM 28 C LIG 1 5.121 0.707 -1.306 0.00 0.00 +0.064 C ATOM 29 C LIG 1 3.876 1.071 -0.443 0.00 0.00 +0.118 C ATOM 30 C LIG 1 4.258 -0.144 0.443 0.00 0.00 +0.064 C ATOM 31 C LIG 1 4.850 1.899 0.418 0.00 0.00 +0.064 C BRANCH 27 34 ATOM 32 C LIG 1 7.219 -1.719 -0.840 0.00 0.00 +0.132 C ATOM 33 N LIG 1 7.747 -0.782 0.136 0.00 0.00 -0.301 N ATOM 34 C LIG 1 6.992 0.246 0.711 0.00 0.00 +0.222 C ATOM 35 O LIG 1 7.442 0.919 1.651 0.00 0.00 -0.275 OA BRANCH 33 36 ATOM 36 C LIG 1 9.089 -1.023 0.615 0.00 0.00 +0.076 C ATOM 37 C LIG 1 10.174 0.007 0.426 0.00 0.00 +0.024 C ATOM 38 C LIG 1 10.240 -1.286 -0.325 0.00 0.00 +0.024 C ENDBRANCH 33 36 ENDBRANCH 27 34 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 7