REMARK Name = LIG001994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.360 -1.047 0.202 0.00 0.00 +0.129 A ATOM 2 C LIG 1 1.340 -1.240 -0.798 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.421 -2.489 -1.440 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.553 -3.526 -1.102 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -0.409 -3.328 -0.117 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.506 -2.095 0.534 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.262 -0.169 -1.199 0.00 0.00 -0.009 A ATOM 8 C LIG 1 3.597 -0.157 -0.812 0.00 0.00 -0.010 A ATOM 9 C LIG 1 4.353 -1.127 0.032 0.00 0.00 +0.145 C ATOM 10 N LIG 1 5.671 -0.513 0.131 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.778 0.616 -0.660 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.769 1.277 -0.899 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.447 0.872 -1.221 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.032 1.916 -2.024 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.695 1.926 -2.417 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.823 0.898 -2.008 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 6.777 -1.202 0.785 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.723 -1.797 -0.258 0.00 0.00 +0.240 C ATOM 19 O LIG 1 7.363 -2.670 -1.050 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 8.993 -1.284 -0.315 0.00 0.00 -0.255 N ATOM 21 H LIG 1 9.598 -1.682 -1.019 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 9.525 -0.238 0.393 0.00 0.00 +0.219 C ATOM 23 O LIG 1 10.691 0.108 0.213 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 8.623 0.470 1.372 0.00 0.00 +0.098 C ATOM 25 C LIG 1 7.494 -0.411 1.876 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 0.358 0.185 0.805 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.758 0.558 1.592 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 -3.139 1.003 1.728 0.00 0.00 -0.204 N ATOM 29 H LIG 1 -3.033 0.641 2.671 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 -2.068 0.845 0.841 0.00 0.00 +0.270 C ATOM 31 O LIG 1 -2.133 0.932 -0.382 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 -4.733 1.807 0.295 0.00 0.00 +0.138 C ATOM 33 N LIG 1 -4.454 1.114 1.355 0.00 0.00 -0.188 NA BRANCH 32 35 ATOM 34 C LIG 1 -7.167 1.055 -0.050 0.00 0.00 -0.036 A ATOM 35 C LIG 1 -6.117 1.986 -0.211 0.00 0.00 -0.002 A ATOM 36 C LIG 1 -6.340 3.202 -0.881 0.00 0.00 +0.010 A ATOM 37 C LIG 1 -7.606 3.528 -1.360 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.661 2.644 -1.171 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.444 1.426 -0.521 0.00 0.00 +0.004 A BRANCH 34 41 ATOM 40 C LIG 1 -7.689 -1.448 -0.154 0.00 0.00 +0.012 C ATOM 41 C LIG 1 -6.976 -0.312 0.595 0.00 0.00 +0.013 C ATOM 42 C LIG 1 -7.421 -0.285 2.059 0.00 0.00 +0.012 C ENDBRANCH 34 41 ENDBRANCH 32 35 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8