REMARK Name = LIG000385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.918 3.263 -0.113 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -3.051 2.181 0.228 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.855 1.053 0.240 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.350 -0.215 0.540 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.969 -0.230 0.807 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.202 0.940 0.766 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -5.100 1.516 -0.086 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.953 0.978 -0.176 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.720 2.159 0.490 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -5.169 2.838 -0.314 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.255 0.928 1.030 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.079 -0.127 0.578 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.438 -0.095 0.851 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.509 -1.063 0.470 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.689 -0.501 1.115 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.431 0.737 1.688 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.222 1.499 2.208 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.989 0.971 1.556 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.233 2.031 2.009 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.861 2.001 1.738 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.047 -0.957 0.847 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.498 -0.646 -0.591 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.889 0.084 -1.370 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.663 -1.262 -0.986 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.941 -1.066 -1.939 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.152 -2.441 -0.482 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.945 -3.124 -1.124 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.679 -2.833 0.897 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.221 -2.451 1.107 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -3.482 4.542 -0.214 0.00 0.00 -0.326 N ATOM 31 H LIG 1 -2.473 4.667 -0.249 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -3.637 6.899 -0.781 0.00 0.00 +0.024 C ATOM 33 C LIG 1 -4.264 5.523 -0.940 0.00 0.00 +0.099 C ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 4 34 ATOM 34 C LIG 1 -4.161 -1.485 0.577 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -3.728 -2.453 -0.432 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.413 -3.739 -0.288 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -4.098 -4.441 -1.599 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -3.865 -3.319 -2.604 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -4.011 -2.030 -1.807 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6