REMARK Name = LIG001658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.923 2.077 0.013 0.00 0.00 +0.198 C ATOM 2 N LIG 1 -2.317 2.571 0.144 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -3.187 2.449 -0.942 0.00 0.00 +0.238 C ATOM 4 O LIG 1 -3.576 3.451 -1.544 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -2.284 3.874 0.808 0.00 0.00 +0.143 C ATOM 6 C LIG 1 -0.960 3.912 1.555 0.00 0.00 +0.168 C ATOM 7 C LIG 1 -0.043 3.200 0.569 0.00 0.00 +0.225 C ATOM 8 F LIG 1 0.262 4.063 -0.447 0.00 0.00 -0.240 F ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 0.559 0.186 0.701 0.00 0.00 -0.310 N ATOM 10 H LIG 1 0.600 -0.693 1.208 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 -0.650 0.809 0.831 0.00 0.00 +0.237 C ATOM 12 O LIG 1 -1.488 0.331 1.599 0.00 0.00 -0.274 OA BRANCH 9 13 ATOM 13 C LIG 1 1.448 0.291 -0.441 0.00 0.00 +0.139 C BRANCH 13 17 ATOM 14 C LIG 1 5.105 -1.879 0.346 0.00 0.00 -0.010 A ATOM 15 C LIG 1 4.045 -2.492 -0.335 0.00 0.00 +0.009 A ATOM 16 C LIG 1 2.866 -1.788 -0.596 0.00 0.00 +0.006 A ATOM 17 C LIG 1 2.728 -0.455 -0.188 0.00 0.00 -0.030 A ATOM 18 C LIG 1 3.783 0.155 0.501 0.00 0.00 +0.006 A ATOM 19 C LIG 1 4.963 -0.549 0.761 0.00 0.00 +0.009 A BRANCH 14 22 ATOM 20 C LIG 1 8.109 -1.192 -0.627 0.00 0.00 +0.067 C ATOM 21 C LIG 1 7.650 -2.325 0.221 0.00 0.00 +0.053 A ATOM 22 C LIG 1 6.347 -2.603 0.613 0.00 0.00 +0.042 A ATOM 23 S LIG 1 6.327 -4.030 1.572 0.00 0.00 -0.075 S ATOM 24 C LIG 1 8.024 -4.157 1.398 0.00 0.00 +0.156 A ATOM 25 N LIG 1 8.604 -3.223 0.680 0.00 0.00 -0.252 NA ENDBRANCH 14 22 ENDBRANCH 13 17 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 O LIG 1 -0.511 5.230 1.836 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 -0.293 5.650 0.981 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -3.788 1.045 -1.261 0.00 0.00 +0.174 C BRANCH 28 29 ATOM 29 N LIG 1 -2.987 -0.057 -0.718 0.00 0.00 -0.300 N ATOM 30 H LIG 1 -2.826 -0.079 0.289 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 -2.609 -1.143 -1.473 0.00 0.00 +0.251 C ATOM 32 O LIG 1 -2.794 -1.237 -2.679 0.00 0.00 -0.272 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.932 -2.239 -0.716 0.00 0.00 +0.187 C ATOM 34 C LIG 1 -2.492 -3.639 -0.770 0.00 0.00 +0.053 C ATOM 35 C LIG 1 -2.573 -2.853 0.505 0.00 0.00 +0.053 C ATOM 36 F LIG 1 -0.540 -2.172 -0.675 0.00 0.00 -0.232 F ENDBRANCH 31 33 ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -5.288 0.917 -0.806 0.00 0.00 +0.035 C ATOM 38 C LIG 1 -5.456 1.180 0.700 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -5.850 -0.482 -1.133 0.00 0.00 +0.024 C BRANCH 37 40 ATOM 40 S LIG 1 -6.409 2.094 -1.691 0.00 0.00 -0.170 S ATOM 41 H LIG 1 -5.933 1.877 -2.927 0.00 0.00 +0.102 HD ENDBRANCH 37 40 ENDBRANCH 28 37 ENDBRANCH 3 28 TORSDOF 10