REMARK Name = LIG000690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.539 -0.560 1.407 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.671 0.233 1.324 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.952 -0.019 0.603 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.703 1.208 0.845 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -5.045 2.055 1.724 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -5.447 3.100 2.199 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.734 1.455 1.992 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.695 1.944 2.757 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.544 1.161 2.837 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -1.465 -0.078 2.166 0.00 0.00 +0.046 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -7.122 1.351 0.550 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.998 0.472 1.459 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.597 -0.105 2.468 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -9.313 0.351 1.069 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.878 -0.242 1.662 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.791 0.507 -0.208 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.875 0.038 -0.540 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.927 1.300 -1.160 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.449 1.040 -0.907 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 O LIG 1 -2.582 -1.732 0.711 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.572 -2.712 0.974 0.00 0.00 +0.264 C BRANCH 21 25 ATOM 22 C LIG 1 2.047 -2.197 -1.359 0.00 0.00 -0.033 A ATOM 23 C LIG 1 2.089 -2.771 -0.080 0.00 0.00 +0.005 A ATOM 24 C LIG 1 0.921 -2.930 0.668 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -0.315 -2.513 0.157 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -0.360 -1.964 -1.132 0.00 0.00 +0.007 A ATOM 27 C LIG 1 0.809 -1.804 -1.880 0.00 0.00 +0.005 A BRANCH 22 28 ATOM 28 C LIG 1 3.314 -2.037 -2.173 0.00 0.00 +0.119 C BRANCH 28 32 ATOM 29 C LIG 1 6.486 0.194 -0.429 0.00 0.00 -0.006 C ATOM 30 C LIG 1 6.694 -0.380 -1.835 0.00 0.00 +0.019 C ATOM 31 C LIG 1 5.669 -1.482 -2.145 0.00 0.00 +0.085 C ATOM 32 N LIG 1 4.375 -1.303 -1.466 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 4.060 0.115 -1.286 0.00 0.00 +0.085 C ATOM 34 C LIG 1 5.056 0.762 -0.310 0.00 0.00 +0.019 C BRANCH 29 36 ATOM 35 C LIG 1 7.772 2.387 -0.924 0.00 0.00 +0.007 C ATOM 36 C LIG 1 7.606 1.177 0.000 0.00 0.00 -0.014 C ATOM 37 C LIG 1 7.413 1.649 1.445 0.00 0.00 +0.007 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7