REMARK Name = LIG000937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.896 -1.013 -0.441 0.00 0.00 -0.198 N ATOM 2 C LIG 1 -3.879 -0.687 0.439 0.00 0.00 +0.278 A ATOM 3 O LIG 1 -3.551 0.462 0.721 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -3.192 -1.821 1.050 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -3.627 -3.079 0.667 0.00 0.00 +0.100 A ATOM 6 C LIG 1 -3.003 -4.196 1.232 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -1.965 -4.048 2.159 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.531 -2.770 2.541 0.00 0.00 -0.029 A ATOM 9 N LIG 1 -4.652 -3.279 -0.264 0.00 0.00 -0.131 NA ATOM 10 C LIG 1 -2.150 -1.650 1.971 0.00 0.00 +0.020 A ATOM 11 N LIG 1 -5.231 -2.296 -0.772 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -6.865 3.913 -1.892 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -6.455 2.781 -1.655 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -6.737 2.159 -0.464 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.270 2.700 0.203 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.447 0.865 -0.092 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -6.896 0.410 0.959 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.661 0.035 -1.113 0.00 0.00 +0.199 C ATOM 19 C LIG 1 -4.813 0.925 -2.022 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -5.702 1.967 -2.682 0.00 0.00 +0.099 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -0.386 -2.602 3.508 0.00 0.00 +0.141 C BRANCH 21 22 ATOM 22 N LIG 1 0.884 -2.605 2.813 0.00 0.00 -0.295 N ATOM 23 H LIG 1 1.056 -3.400 2.219 0.00 0.00 +0.151 HD ATOM 24 C LIG 1 1.451 -1.419 2.389 0.00 0.00 +0.304 C ATOM 25 N LIG 1 2.606 -1.665 1.679 0.00 0.00 -0.269 N ATOM 26 H LIG 1 2.993 -2.589 1.793 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 0.967 -0.326 2.647 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 3.398 -0.733 0.981 0.00 0.00 +0.035 A ATOM 29 C LIG 1 3.021 0.589 0.751 0.00 0.00 +0.024 A ATOM 30 C LIG 1 3.857 1.451 0.027 0.00 0.00 +0.010 A ATOM 31 C LIG 1 5.087 1.014 -0.489 0.00 0.00 -0.018 A ATOM 32 C LIG 1 5.453 -0.319 -0.253 0.00 0.00 +0.010 A ATOM 33 C LIG 1 4.619 -1.183 0.469 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 5.961 1.922 -1.252 0.00 0.00 -0.018 A ATOM 35 C LIG 1 6.299 3.193 -0.756 0.00 0.00 +0.008 A ATOM 36 C LIG 1 7.131 4.053 -1.479 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.640 3.658 -2.713 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.318 2.404 -3.225 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.486 1.545 -2.500 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 5