REMARK Name = LIG001448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.000 2.648 1.504 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -2.768 2.932 2.108 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 11 ATOM 3 C LIG 1 -5.996 -0.875 -1.519 0.00 0.00 +0.186 A ATOM 4 C LIG 1 -5.011 -1.524 -2.464 0.00 0.00 +0.293 A ATOM 5 O LIG 1 -5.432 -2.318 -3.308 0.00 0.00 -0.264 OA ATOM 6 N LIG 1 -3.668 -1.175 -2.350 0.00 0.00 -0.308 N ATOM 7 C LIG 1 -2.714 -1.804 -3.247 0.00 0.00 +0.152 C ATOM 8 C LIG 1 -3.214 -0.218 -1.397 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -4.144 0.391 -0.545 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -3.720 1.337 0.407 0.00 0.00 +0.033 A ATOM 11 C LIG 1 -2.368 1.681 0.548 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -1.456 1.089 -0.328 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -1.867 0.147 -1.282 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -5.557 0.038 -0.635 0.00 0.00 +0.061 A BRANCH 3 15 ATOM 15 O LIG 1 -7.309 -1.282 -1.678 0.00 0.00 -0.477 OA BRANCH 15 16 ATOM 16 C LIG 1 -8.352 -0.515 -1.093 0.00 0.00 +0.324 C BRANCH 16 20 ATOM 17 C LIG 1 -8.518 1.946 -3.977 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.449 0.759 -3.165 0.00 0.00 -0.316 N ATOM 19 H LIG 1 -7.981 -0.062 -3.541 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 -8.582 0.823 -1.794 0.00 0.00 +0.250 C ATOM 21 O LIG 1 -8.887 1.843 -1.184 0.00 0.00 -0.272 OA ENDBRANCH 16 20 ENDBRANCH 15 16 ENDBRANCH 3 15 ENDBRANCH 1 11 BRANCH 1 22 ATOM 22 C LIG 1 -0.764 2.823 2.183 0.00 0.00 +0.147 A ATOM 23 C LIG 1 -0.610 3.913 3.031 0.00 0.00 +0.099 A ATOM 24 CL LIG 1 -1.860 5.051 3.344 0.00 0.00 -0.078 Cl ATOM 25 C LIG 1 0.610 4.030 3.647 0.00 0.00 +0.137 A ATOM 26 N LIG 1 1.623 3.161 3.466 0.00 0.00 -0.221 NA ATOM 27 C LIG 1 1.424 2.139 2.617 0.00 0.00 +0.220 A ATOM 28 N LIG 1 0.254 1.961 1.977 0.00 0.00 -0.198 NA BRANCH 27 29 ATOM 29 N LIG 1 2.441 1.230 2.403 0.00 0.00 -0.300 N ATOM 30 C LIG 1 3.789 1.521 2.875 0.00 0.00 +0.108 C ATOM 31 C LIG 1 4.769 1.463 1.705 0.00 0.00 +0.024 C ATOM 32 C LIG 1 4.770 0.090 0.998 0.00 0.00 +0.006 C ATOM 33 C LIG 1 3.452 -0.675 1.233 0.00 0.00 +0.024 C ATOM 34 C LIG 1 2.255 0.266 1.323 0.00 0.00 +0.108 C BRANCH 32 35 ATOM 35 C LIG 1 5.986 -0.755 1.443 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 6.060 -2.067 0.779 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 7.042 -2.938 1.463 0.00 0.00 +0.112 C ATOM 38 C LIG 1 7.189 -4.295 0.755 0.00 0.00 +0.175 C ATOM 39 O LIG 1 7.562 -4.134 -0.620 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 6.587 -3.335 -1.298 0.00 0.00 +0.175 C ATOM 41 C LIG 1 6.445 -1.952 -0.644 0.00 0.00 +0.112 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 8