REMARK Name = LIG000676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.505 0.303 0.340 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.270 -0.522 0.888 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.163 -0.096 -0.843 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.499 -0.465 -0.801 0.00 0.00 +0.003 A ATOM 5 C LIG 1 3.468 -0.404 0.334 0.00 0.00 +0.146 C ATOM 6 N LIG 1 4.679 -0.976 -0.243 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.542 -1.216 -1.602 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.393 -1.590 -2.386 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.145 -0.933 -1.946 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.508 -1.075 -3.163 0.00 0.00 +0.013 A ATOM 11 C LIG 1 1.157 -0.741 -3.215 0.00 0.00 +0.003 A ATOM 12 C LIG 1 0.491 -0.269 -2.066 0.00 0.00 +0.023 A BRANCH 6 13 ATOM 13 C LIG 1 5.987 -0.894 0.394 0.00 0.00 +0.163 C ATOM 14 C LIG 1 6.521 0.548 0.442 0.00 0.00 +0.240 C ATOM 15 O LIG 1 6.034 1.491 -0.177 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 7.615 0.742 1.254 0.00 0.00 -0.255 N ATOM 17 H LIG 1 7.950 1.696 1.293 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 7.964 -0.031 2.332 0.00 0.00 +0.219 C ATOM 19 O LIG 1 8.712 0.399 3.205 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 7.398 -1.432 2.370 0.00 0.00 +0.098 C ATOM 21 C LIG 1 5.985 -1.470 1.807 0.00 0.00 +0.041 C ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 27 ATOM 22 C LIG 1 -2.815 1.564 1.088 0.00 0.00 +0.267 C ATOM 23 N LIG 1 -2.678 2.880 0.501 0.00 0.00 -0.316 N ATOM 24 H LIG 1 -3.566 3.323 0.300 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -1.615 3.221 -0.276 0.00 0.00 +0.073 C ATOM 26 C LIG 1 -0.546 2.438 -0.396 0.00 0.00 +0.058 C ATOM 27 C LIG 1 -0.592 1.145 0.346 0.00 0.00 +0.123 C ATOM 28 N LIG 1 -1.607 0.728 1.038 0.00 0.00 -0.232 NA BRANCH 22 29 ATOM 29 N LIG 1 -4.010 0.806 0.691 0.00 0.00 -0.262 NA BRANCH 29 31 ATOM 30 C LIG 1 -4.642 0.017 2.990 0.00 0.00 +0.020 C ATOM 31 C LIG 1 -4.264 -0.357 1.559 0.00 0.00 +0.085 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 -3.896 0.391 -0.718 0.00 0.00 +0.123 C BRANCH 32 33 ATOM 33 C LIG 1 -5.215 -0.048 -1.328 0.00 0.00 -0.033 A ATOM 34 C LIG 1 -5.332 -1.300 -1.949 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.540 -1.693 -2.527 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.642 -0.840 -2.494 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.537 0.408 -1.884 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.330 0.804 -1.306 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 22 29 ENDBRANCH 1 27 TORSDOF 7