REMARK Name = LIG000692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.400 0.236 0.203 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.334 -0.230 -0.701 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.315 -0.461 1.021 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.678 -0.349 0.787 0.00 0.00 +0.003 A ATOM 5 C LIG 1 -3.407 0.496 -0.204 0.00 0.00 +0.146 C ATOM 6 N LIG 1 -4.805 0.242 0.116 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -4.943 -0.759 1.065 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.960 -1.300 1.452 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.593 -1.093 1.531 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.213 -1.985 2.514 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -1.847 -2.131 2.746 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -0.911 -1.385 2.002 0.00 0.00 +0.023 A BRANCH 6 13 ATOM 13 C LIG 1 -5.877 0.696 -0.764 0.00 0.00 +0.163 C ATOM 14 C LIG 1 -6.165 -0.338 -1.864 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -5.308 -1.086 -2.333 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -7.432 -0.309 -2.401 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -7.610 -0.967 -3.147 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -8.449 0.566 -2.115 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -9.489 0.560 -2.767 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -8.185 1.584 -1.030 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -7.163 1.069 -0.028 0.00 0.00 +0.041 C ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 27 ATOM 22 C LIG 1 3.190 0.678 0.133 0.00 0.00 +0.282 C ATOM 23 N LIG 1 3.377 1.370 1.378 0.00 0.00 -0.314 N ATOM 24 H LIG 1 4.214 1.012 1.830 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 2.333 1.581 2.231 0.00 0.00 +0.074 C ATOM 26 C LIG 1 1.077 1.271 1.921 0.00 0.00 +0.058 C ATOM 27 C LIG 1 0.873 0.591 0.610 0.00 0.00 +0.123 C ATOM 28 N LIG 1 1.825 0.304 -0.224 0.00 0.00 -0.229 NA BRANCH 22 29 ATOM 29 N LIG 1 4.011 -0.503 0.221 0.00 0.00 -0.308 N ATOM 30 H LIG 1 3.452 -1.273 -0.130 0.00 0.00 +0.150 HD BRANCH 29 34 ATOM 31 C LIG 1 7.992 -0.722 -1.194 0.00 0.00 +0.120 A ATOM 32 C LIG 1 7.458 0.511 -0.829 0.00 0.00 +0.047 A ATOM 33 C LIG 1 6.134 0.602 -0.373 0.00 0.00 +0.026 A ATOM 34 C LIG 1 5.306 -0.524 -0.300 0.00 0.00 +0.030 A ATOM 35 C LIG 1 5.875 -1.762 -0.626 0.00 0.00 +0.026 A ATOM 36 C LIG 1 7.194 -1.859 -1.082 0.00 0.00 +0.047 A BRANCH 31 38 ATOM 37 C LIG 1 10.104 0.184 -1.792 0.00 0.00 +0.277 C ATOM 38 O LIG 1 9.259 -0.950 -1.651 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 29 34 ENDBRANCH 22 29 ENDBRANCH 1 27 TORSDOF 6