REMARK Name = LIG000404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.193 -0.077 0.118 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.024 -0.431 -0.823 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 5.557 -0.452 -0.292 0.00 0.00 -0.282 N ATOM 4 C LIG 1 5.686 -1.435 0.677 0.00 0.00 +0.248 C ATOM 5 O LIG 1 6.700 -1.961 1.091 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 4.334 -1.736 1.159 0.00 0.00 +0.043 A ATOM 7 C LIG 1 3.442 -0.869 0.528 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.086 -0.913 0.815 0.00 0.00 +0.038 A ATOM 9 C LIG 1 1.659 -1.900 1.722 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.571 -2.768 2.354 0.00 0.00 +0.003 A ATOM 11 C LIG 1 3.934 -2.686 2.078 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.192 0.052 -0.375 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 10.522 1.785 -1.132 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.407 1.284 -1.023 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.551 1.674 -0.024 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.909 2.363 0.623 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.237 1.307 0.156 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.553 1.854 1.021 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.676 0.296 -0.856 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.793 -0.591 -1.404 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.873 0.284 -2.022 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 -0.064 0.371 0.569 0.00 0.00 +0.128 A ATOM 23 N LIG 1 -1.068 0.320 -0.322 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -2.271 0.764 0.068 0.00 0.00 +0.217 A ATOM 25 N LIG 1 -2.521 1.251 1.287 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 -1.492 1.307 2.147 0.00 0.00 +0.118 A ATOM 27 C LIG 1 -0.229 0.879 1.838 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 -3.256 0.685 -0.893 0.00 0.00 -0.308 N ATOM 29 H LIG 1 -2.887 0.073 -1.613 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.664 0.474 -0.558 0.00 0.00 +0.036 C ATOM 31 C LIG 1 -4.879 -0.751 0.361 0.00 0.00 +0.029 C ATOM 32 C LIG 1 -6.381 -0.977 0.611 0.00 0.00 -0.008 C ATOM 33 C LIG 1 -6.984 0.282 1.258 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -6.812 1.494 0.324 0.00 0.00 -0.008 C ATOM 35 C LIG 1 -7.514 1.208 -1.012 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.905 -0.041 -1.665 0.00 0.00 -0.008 C ATOM 37 C LIG 1 -7.085 -1.246 -0.728 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -5.311 1.730 0.072 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -5.405 0.194 -1.900 0.00 0.00 +0.029 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5