REMARK Name = LIG001662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.024 -0.541 2.217 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.049 -0.987 1.249 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.190 -0.390 -0.010 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.205 -0.794 -0.881 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.114 -1.792 -0.506 0.00 0.00 -0.033 A ATOM 6 C LIG 1 1.979 -2.382 0.758 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.964 -1.978 1.629 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 3.213 -2.231 -1.451 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 4.492 -1.517 -1.377 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 4.402 -0.090 -1.738 0.00 0.00 +0.103 C ATOM 11 C LIG 1 5.796 0.583 -1.789 0.00 0.00 +0.120 C ATOM 12 N LIG 1 6.494 0.426 -0.493 0.00 0.00 -0.325 N ATOM 13 C LIG 1 6.587 -1.000 -0.088 0.00 0.00 +0.120 C ATOM 14 C LIG 1 5.184 -1.659 -0.084 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 7.682 1.155 -0.293 0.00 0.00 +0.066 A ATOM 16 C LIG 1 8.416 1.806 -1.309 0.00 0.00 +0.147 A ATOM 17 F LIG 1 8.030 1.738 -2.593 0.00 0.00 -0.203 F ATOM 18 C LIG 1 9.579 2.527 -1.040 0.00 0.00 +0.078 A ATOM 19 C LIG 1 10.030 2.622 0.265 0.00 0.00 +0.126 A ATOM 20 F LIG 1 11.145 3.315 0.531 0.00 0.00 -0.205 F ATOM 21 C LIG 1 9.337 2.015 1.301 0.00 0.00 +0.040 A ATOM 22 C LIG 1 8.172 1.293 1.021 0.00 0.00 +0.029 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 -2.216 -0.081 1.571 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 -6.205 0.812 0.273 0.00 0.00 -0.281 N ATOM 25 C LIG 1 -6.604 -0.507 0.163 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -7.702 -0.942 -0.117 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.439 -1.333 0.494 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -4.395 -0.486 0.861 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -3.166 -0.999 1.237 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -3.012 -2.391 1.215 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.078 -3.237 0.843 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.316 -2.708 0.480 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.848 0.932 0.791 0.00 0.00 +0.148 C BRANCH 24 40 ATOM 34 O LIG 1 -11.159 1.433 -0.454 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -9.948 1.583 -0.310 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -9.422 1.845 0.928 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -10.085 1.832 1.690 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -8.105 1.985 1.285 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -7.782 2.064 2.471 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -7.074 1.978 0.156 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -7.684 2.208 -1.224 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -8.985 1.465 -1.465 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7