REMARK Name = LIG000780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.170 0.110 0.287 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.413 -0.539 1.488 0.00 0.00 +0.248 C ATOM 3 O LIG 1 6.473 -0.928 1.937 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 4.115 -0.709 2.149 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.122 -0.240 1.289 0.00 0.00 +0.003 A ATOM 6 C LIG 1 1.786 -0.272 1.662 0.00 0.00 +0.038 A ATOM 7 C LIG 1 1.489 -0.835 2.916 0.00 0.00 +0.023 A ATOM 8 C LIG 1 2.503 -1.306 3.775 0.00 0.00 +0.003 A ATOM 9 C LIG 1 3.841 -1.243 3.392 0.00 0.00 +0.013 A ATOM 10 C LIG 1 3.744 0.248 0.024 0.00 0.00 +0.146 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.600 -0.481 -2.936 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.615 -0.274 -2.233 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.606 -1.199 -2.141 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.744 -2.058 -2.655 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.386 -1.061 -1.518 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.518 -1.923 -1.655 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.154 0.266 -0.779 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.483 0.858 -0.310 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.406 1.034 -1.506 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 N LIG 1 0.794 0.138 0.751 0.00 0.00 -0.299 N ATOM 21 H LIG 1 0.673 -0.556 0.013 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.503 0.593 1.053 0.00 0.00 +0.128 A ATOM 23 N LIG 1 -1.494 0.125 0.277 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -2.745 0.556 0.520 0.00 0.00 +0.221 A ATOM 25 N LIG 1 -3.041 1.433 1.488 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 -2.026 1.899 2.232 0.00 0.00 +0.118 A ATOM 27 C LIG 1 -0.724 1.512 2.054 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 -3.719 0.017 -0.315 0.00 0.00 -0.284 N ATOM 29 H LIG 1 -3.281 -0.622 -0.961 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -5.110 0.154 -0.413 0.00 0.00 +0.034 A ATOM 31 C LIG 1 -5.778 -0.567 -1.420 0.00 0.00 +0.027 A ATOM 32 C LIG 1 -7.156 -0.459 -1.546 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.043 -1.106 -2.562 0.00 0.00 +0.036 C ATOM 34 C LIG 1 -9.423 -0.923 -1.911 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -9.342 0.353 -1.061 0.00 0.00 +0.036 C ATOM 36 C LIG 1 -7.892 0.367 -0.697 0.00 0.00 -0.044 A ATOM 37 C LIG 1 -7.264 1.099 0.291 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -5.874 0.983 0.430 0.00 0.00 +0.023 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 5