REMARK Name = LIG000753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.369 2.161 -2.259 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.067 1.315 -2.598 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.195 2.819 -3.164 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.908 3.791 -2.931 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 -2.095 0.060 0.738 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.627 0.793 1.810 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -1.894 0.660 2.988 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.692 1.785 1.268 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -0.575 1.583 -0.111 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.254 2.401 -0.873 0.00 0.00 +0.039 A ATOM 11 C LIG 1 0.945 3.418 -0.196 0.00 0.00 +0.023 A ATOM 12 C LIG 1 0.815 3.602 1.197 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -0.013 2.776 1.948 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -1.426 0.419 -0.501 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 -4.357 -2.299 4.567 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -3.985 -1.919 3.459 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -2.958 -2.559 2.816 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -2.499 -3.282 3.352 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -2.353 -2.220 1.631 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -1.324 -2.789 1.269 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -2.991 -1.088 0.822 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -4.417 -0.771 1.264 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -4.601 -0.729 2.772 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 1.177 2.191 -4.573 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 2.223 1.156 -4.723 0.00 0.00 -0.320 N ATOM 26 H LIG 1 3.014 1.465 -4.148 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 1.839 -0.045 -4.111 0.00 0.00 +0.123 A ATOM 28 N LIG 1 2.248 -0.221 -2.855 0.00 0.00 -0.210 NA ATOM 29 C LIG 1 1.789 -1.308 -2.210 0.00 0.00 +0.197 A ATOM 30 N LIG 1 0.944 -2.217 -2.731 0.00 0.00 -0.233 NA ATOM 31 C LIG 1 0.594 -2.021 -4.014 0.00 0.00 +0.116 A ATOM 32 C LIG 1 1.005 -0.937 -4.749 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 C LIG 1 2.088 -1.418 -0.794 0.00 0.00 +0.173 A ATOM 34 O LIG 1 2.901 -0.457 -0.258 0.00 0.00 -0.452 OA ATOM 35 C LIG 1 2.984 -0.698 1.079 0.00 0.00 +0.136 A ATOM 36 C LIG 1 2.237 -1.818 1.419 0.00 0.00 +0.021 A ATOM 37 C LIG 1 2.179 -2.208 2.768 0.00 0.00 +0.011 A ATOM 38 C LIG 1 2.892 -1.459 3.716 0.00 0.00 +0.001 A ATOM 39 C LIG 1 3.644 -0.344 3.333 0.00 0.00 +0.004 A ATOM 40 C LIG 1 3.703 0.066 1.995 0.00 0.00 +0.047 A ATOM 41 C LIG 1 1.685 -2.290 0.201 0.00 0.00 +0.061 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6