REMARK Name = LIG001651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.620 0.264 1.595 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.532 0.600 0.669 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.121 1.603 -0.118 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.914 2.272 -0.048 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.826 3.239 -1.030 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.971 3.162 -1.675 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.020 1.857 0.952 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.788 2.186 -1.161 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.411 0.835 1.758 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.111 1.848 -1.665 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -6.202 2.051 -0.613 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.154 0.440 -2.258 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.885 -0.757 2.491 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -1.995 -0.985 2.921 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.680 -1.916 2.073 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -3.661 -3.991 0.562 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.033 -2.641 0.876 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.167 -1.556 1.867 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.004 -2.685 2.131 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -6.921 -2.365 2.079 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.225 2.469 1.110 0.00 0.00 -0.327 N ATOM 22 H LIG 1 0.447 3.039 0.297 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.306 1.662 1.649 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 1.815 0.610 0.659 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 2.318 1.151 -0.684 0.00 0.00 +0.002 C BRANCH 25 26 ATOM 26 C LIG 1 3.418 2.216 -0.610 0.00 0.00 +0.005 C BRANCH 26 27 ATOM 27 C LIG 1 4.738 1.758 0.032 0.00 0.00 +0.036 C BRANCH 27 28 ATOM 28 C LIG 1 5.460 0.658 -0.728 0.00 0.00 -0.040 A ATOM 29 C LIG 1 5.729 -0.634 -0.184 0.00 0.00 -0.015 A ATOM 30 C LIG 1 6.398 -1.587 -0.999 0.00 0.00 -0.018 A ATOM 31 C LIG 1 6.673 -2.875 -0.507 0.00 0.00 +0.008 A ATOM 32 C LIG 1 6.308 -3.246 0.784 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.665 -2.330 1.602 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.793 -1.250 -2.300 0.00 0.00 +0.008 A ATOM 35 C LIG 1 6.548 0.017 -2.814 0.00 0.00 +0.001 A ATOM 36 C LIG 1 5.383 -1.046 1.126 0.00 0.00 +0.009 A ATOM 37 C LIG 1 5.891 0.961 -2.035 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 13