REMARK Name = BDB059266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 -0.899 -0.675 0.00 0.00 +0.259 C ATOM 2 N LIG 1 0.920 0.023 -0.387 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.721 0.861 0.158 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.178 -2.026 -1.094 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 -3.522 1.553 2.043 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -3.142 0.743 0.837 0.00 0.00 -0.048 A ATOM 7 C LIG 1 -4.124 0.331 -0.078 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -3.785 -0.471 -1.179 0.00 0.00 +0.066 A ATOM 9 C LIG 1 -2.450 -0.865 -1.359 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -1.467 -0.452 -0.454 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -1.815 0.335 0.652 0.00 0.00 +0.016 A BRANCH 8 12 ATOM 12 N LIG 1 -4.770 -0.894 -2.116 0.00 0.00 -0.240 N ATOM 13 N LIG 1 -4.428 -1.645 -3.195 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -5.573 -1.854 -3.844 0.00 0.00 +0.135 A ATOM 15 C LIG 1 -6.666 -1.247 -3.212 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -6.126 -0.635 -2.106 0.00 0.00 +0.114 A ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 N LIG 1 2.324 -0.554 -0.184 0.00 0.00 -0.108 NA ATOM 18 H LIG 1 2.365 -1.532 -0.515 0.00 0.00 +0.172 HD BRANCH 17 19 ATOM 19 S LIG 1 2.855 -0.505 1.444 0.00 0.00 +0.076 S ATOM 20 O LIG 1 3.089 -1.877 1.838 0.00 0.00 -0.152 OA ATOM 21 O LIG 1 1.952 0.353 2.186 0.00 0.00 -0.152 OA BRANCH 19 22 ATOM 22 C LIG 1 4.402 0.308 1.294 0.00 0.00 +0.145 A ATOM 23 C LIG 1 4.427 1.633 0.877 0.00 0.00 +0.150 A ATOM 24 F LIG 1 3.300 2.288 0.569 0.00 0.00 -0.203 F ATOM 25 C LIG 1 5.641 2.308 0.760 0.00 0.00 +0.044 A ATOM 26 C LIG 1 6.834 1.651 1.067 0.00 0.00 +0.048 A ATOM 27 C LIG 1 6.795 0.324 1.489 0.00 0.00 +0.119 A ATOM 28 C LIG 1 5.589 -0.358 1.609 0.00 0.00 +0.077 A BRANCH 27 29 ATOM 29 O LIG 1 7.935 -0.354 1.801 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 8.701 0.231 1.678 0.00 0.00 +0.292 HD ENDBRANCH 27 29 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 TORSDOF 6