REMARK Name = LIG000421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.636 -0.179 -0.622 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.784 -1.131 -1.159 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.942 -1.789 -2.169 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.600 -1.176 -0.294 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.754 -0.215 0.702 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.766 -0.032 1.657 0.00 0.00 +0.014 A ATOM 7 C LIG 1 0.607 -0.829 1.592 0.00 0.00 -0.012 A ATOM 8 C LIG 1 0.479 -1.796 0.568 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.481 -1.976 -0.391 0.00 0.00 +0.014 A ATOM 10 C LIG 1 4.058 0.495 0.534 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.649 3.026 -2.606 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.831 2.178 -2.264 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.925 1.557 -1.045 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.665 1.895 -0.445 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.960 0.797 -0.422 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.059 0.547 0.777 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.828 0.285 -1.327 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.468 1.367 -2.348 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.698 1.738 -3.159 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.435 -0.661 2.592 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -1.799 -0.735 2.363 0.00 0.00 +0.165 A ATOM 22 N LIG 1 -2.411 -0.499 3.597 0.00 0.00 -0.221 N ATOM 23 C LIG 1 -3.794 -0.512 3.712 0.00 0.00 +0.118 A ATOM 24 C LIG 1 -4.561 -0.740 2.639 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -3.846 -0.965 1.338 0.00 0.00 +0.123 A ATOM 26 N LIG 1 -1.508 -0.271 4.581 0.00 0.00 -0.173 NA ATOM 27 N LIG 1 -2.537 -0.967 1.231 0.00 0.00 -0.213 NA ATOM 28 C LIG 1 -0.328 -0.372 3.970 0.00 0.00 +0.145 A BRANCH 25 29 ATOM 29 N LIG 1 -4.522 -1.195 0.164 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -3.855 -1.238 -0.605 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.798 -0.588 -0.198 0.00 0.00 +0.076 C ATOM 32 C LIG 1 -6.379 -1.307 -1.423 0.00 0.00 +0.050 C ATOM 33 C LIG 1 -6.095 -0.522 -2.694 0.00 0.00 +0.161 C ATOM 34 O LIG 1 -6.670 0.783 -2.666 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -6.694 1.419 -1.389 0.00 0.00 +0.161 C ATOM 36 C LIG 1 -5.612 0.912 -0.452 0.00 0.00 +0.050 C ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 7 20 TORSDOF 4