REMARK Name = LIG000699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.018 -2.452 -0.550 0.00 0.00 +0.030 A ATOM 2 C LIG 1 1.241 -1.806 -0.522 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.620 -0.492 0.072 0.00 0.00 +0.146 C ATOM 4 N LIG 1 3.019 -0.356 -0.312 0.00 0.00 -0.282 N ATOM 5 C LIG 1 3.505 -1.508 -0.912 0.00 0.00 +0.248 C ATOM 6 O LIG 1 4.649 -1.774 -1.225 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.360 -2.407 -1.095 0.00 0.00 +0.043 A ATOM 8 C LIG 1 2.318 -3.647 -1.704 0.00 0.00 +0.013 A ATOM 9 C LIG 1 1.087 -4.303 -1.739 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.055 -3.709 -1.167 0.00 0.00 +0.017 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 3.859 0.696 0.250 0.00 0.00 +0.163 C ATOM 12 C LIG 1 4.505 0.245 1.570 0.00 0.00 +0.240 C ATOM 13 O LIG 1 3.979 -0.551 2.347 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 5.678 0.877 1.913 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.084 0.603 2.797 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.312 1.898 1.250 0.00 0.00 +0.219 C ATOM 17 O LIG 1 7.288 2.459 1.740 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 5.694 2.348 -0.053 0.00 0.00 +0.098 C ATOM 19 C LIG 1 4.922 1.218 -0.716 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.103 -1.339 0.533 0.00 0.00 -0.062 C ATOM 21 C LIG 1 -1.141 -1.861 0.036 0.00 0.00 -0.063 C BRANCH 20 23 ATOM 22 C LIG 1 -4.287 -1.766 1.552 0.00 0.00 +0.056 C ATOM 23 C LIG 1 -3.273 -0.685 1.154 0.00 0.00 +0.127 C BRANCH 23 24 ATOM 24 C LIG 1 -3.890 0.368 0.193 0.00 0.00 +0.035 C ATOM 25 C LIG 1 -2.916 1.504 -0.175 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -3.533 2.442 -1.220 0.00 0.00 +0.081 C ATOM 27 N LIG 1 -4.985 2.595 -1.105 0.00 0.00 -0.316 NA ATOM 28 H LIG 1 -5.260 3.510 -1.462 0.00 0.00 +0.122 HD ATOM 29 C LIG 1 -5.437 2.430 0.268 0.00 0.00 +0.081 C ATOM 30 C LIG 1 -5.190 1.000 0.755 0.00 0.00 +0.022 C ENDBRANCH 23 24 BRANCH 23 31 ATOM 31 O LIG 1 -2.838 -0.027 2.345 0.00 0.00 -0.377 OA ATOM 32 H LIG 1 -2.395 -0.698 2.894 0.00 0.00 +0.211 HD ENDBRANCH 23 31 ENDBRANCH 20 23 ENDBRANCH 1 21 TORSDOF 5