REMARK Name = BDB059864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.539 -1.244 -1.351 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.612 -0.198 -1.168 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.719 -0.443 -0.793 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.659 0.728 -0.618 0.00 0.00 +0.143 C ATOM 5 N LIG 1 -2.988 0.374 -0.135 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -3.507 -0.926 -0.561 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -2.556 -2.055 -0.174 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -3.793 1.433 0.285 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -3.414 2.600 0.339 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.144 -1.766 -0.610 0.00 0.00 -0.041 A ATOM 11 C LIG 1 -0.231 -2.813 -0.776 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.092 -2.554 -1.145 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -5.185 1.133 0.702 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.416 0.575 1.983 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -4.266 0.289 2.917 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.736 0.249 2.344 0.00 0.00 -0.047 A ATOM 17 C LIG 1 -7.068 -0.388 3.667 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -7.787 0.564 1.466 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -7.562 1.170 0.219 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -8.749 1.495 -0.648 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -6.242 1.434 -0.191 0.00 0.00 -0.035 A ATOM 22 C LIG 1 -5.946 2.079 -1.522 0.00 0.00 +0.045 C ENDBRANCH 8 13 BRANCH 1 23 ATOM 23 C LIG 1 2.974 -0.888 -1.755 0.00 0.00 +0.063 C BRANCH 23 24 ATOM 24 C LIG 1 3.699 -0.080 -0.655 0.00 0.00 -0.034 A ATOM 25 C LIG 1 3.977 -0.578 0.652 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.545 -1.933 1.134 0.00 0.00 +0.046 C ATOM 27 C LIG 1 4.658 0.287 1.543 0.00 0.00 +0.116 A ATOM 28 N LIG 1 5.052 0.081 2.843 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 5.660 1.177 3.276 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 5.643 2.068 2.270 0.00 0.00 -0.244 N ATOM 31 C LIG 1 5.032 1.565 1.151 0.00 0.00 +0.089 A ATOM 32 C LIG 1 4.776 2.079 -0.116 0.00 0.00 +0.030 A ATOM 33 C LIG 1 4.104 1.233 -1.002 0.00 0.00 +0.007 A BRANCH 30 34 ATOM 34 C LIG 1 6.226 3.377 2.460 0.00 0.00 +0.142 C ATOM 35 C LIG 1 7.686 3.419 2.046 0.00 0.00 +0.029 C ENDBRANCH 30 34 ENDBRANCH 23 24 BRANCH 23 36 ATOM 36 C LIG 1 3.856 -2.022 -2.371 0.00 0.00 +0.109 C BRANCH 36 38 ATOM 37 C LIG 1 6.157 -2.721 -3.260 0.00 0.00 +0.004 C ATOM 38 C LIG 1 5.305 -1.589 -2.695 0.00 0.00 +0.012 C ENDBRANCH 36 38 BRANCH 36 39 ATOM 39 C LIG 1 3.192 -2.590 -3.619 0.00 0.00 +0.309 C ATOM 40 O LIG 1 2.788 -3.743 -3.693 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 3.102 -1.743 -4.667 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 3.481 -0.857 -4.531 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 23 36 ENDBRANCH 1 23 TORSDOF 8