REMARK Name = LIG000499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.151 1.315 -0.088 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.943 1.970 -0.016 0.00 0.00 -0.285 N ATOM 3 C LIG 1 0.387 1.407 -0.225 0.00 0.00 +0.166 C ATOM 4 C LIG 1 1.289 2.630 -0.337 0.00 0.00 +0.078 C ATOM 5 C LIG 1 0.638 3.638 0.622 0.00 0.00 +0.193 C ATOM 6 C LIG 1 -0.859 3.350 0.437 0.00 0.00 +0.153 C ATOM 7 O LIG 1 -3.211 1.874 0.216 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.836 0.545 0.973 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.730 -0.445 0.639 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.990 -0.604 -0.326 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.458 0.750 2.122 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.203 -1.417 1.616 0.00 0.00 +0.103 C ATOM 13 C LIG 1 2.531 -2.708 0.892 0.00 0.00 -0.024 A ATOM 14 C LIG 1 3.860 -3.093 0.631 0.00 0.00 -0.042 A ATOM 15 C LIG 1 4.105 -4.282 -0.073 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.049 -5.069 -0.533 0.00 0.00 +0.000 A ATOM 17 C LIG 1 1.735 -4.683 -0.287 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.032 -2.297 1.149 0.00 0.00 +0.035 C ATOM 19 C LIG 1 4.667 -0.870 1.552 0.00 0.00 +0.007 C ATOM 20 C LIG 1 1.477 -3.510 0.421 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.400 -0.861 2.402 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -2.165 -0.138 -0.617 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LIG 1 -2.195 -0.163 -2.163 0.00 0.00 +0.018 C ATOM 24 C LIG 1 -3.473 0.465 -2.763 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -3.789 -0.022 -4.181 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -2.535 -0.429 -4.940 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -1.794 -1.569 -4.240 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -1.975 -1.576 -2.720 0.00 0.00 +0.006 C ENDBRANCH 22 23 BRANCH 22 30 ATOM 29 C LIG 1 -3.223 -2.076 0.520 0.00 0.00 +0.230 C ATOM 30 N LIG 1 -3.311 -0.812 -0.015 0.00 0.00 -0.302 N ATOM 31 H LIG 1 -4.094 -0.211 0.220 0.00 0.00 +0.150 HD ATOM 32 O LIG 1 -2.221 -2.777 0.372 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C LIG 1 -4.505 -2.585 1.234 0.00 0.00 +0.137 C ATOM 34 C LIG 1 -5.062 -1.591 2.253 0.00 0.00 +0.034 C BRANCH 33 36 ATOM 35 C LIG 1 -3.491 -3.933 3.038 0.00 0.00 +0.101 C ATOM 36 N LIG 1 -4.276 -3.937 1.808 0.00 0.00 -0.309 NA ATOM 37 H LIG 1 -3.744 -4.463 1.107 0.00 0.00 +0.122 HD ENDBRANCH 33 36 ENDBRANCH 29 33 ENDBRANCH 22 30 ENDBRANCH 1 22 BRANCH 5 38 ATOM 38 O LIG 1 0.920 4.978 0.235 0.00 0.00 -0.487 OA BRANCH 38 39 ATOM 39 C LIG 1 2.124 5.521 0.586 0.00 0.00 +0.121 A ATOM 40 C LIG 1 3.100 4.928 1.387 0.00 0.00 +0.045 A ATOM 41 C LIG 1 4.292 5.606 1.662 0.00 0.00 +0.004 A ATOM 42 C LIG 1 4.513 6.880 1.140 0.00 0.00 +0.000 A ATOM 43 C LIG 1 3.541 7.478 0.343 0.00 0.00 +0.004 A ATOM 44 C LIG 1 2.352 6.800 0.070 0.00 0.00 +0.045 A ENDBRANCH 38 39 ENDBRANCH 5 38 TORSDOF 9