REMARK Name = LIG001906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 2.360 1.058 0.00 0.00 +0.164 C ATOM 2 N LIG 1 1.191 1.186 0.710 0.00 0.00 -0.287 N ATOM 3 C LIG 1 0.943 0.557 -0.518 0.00 0.00 +0.227 C ATOM 4 O LIG 1 0.200 1.075 -1.355 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 2.580 1.584 0.954 0.00 0.00 +0.140 C ATOM 6 C LIG 1 2.596 3.130 0.952 0.00 0.00 +0.134 C ATOM 7 C LIG 1 1.185 3.538 0.539 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -1.797 1.223 1.030 0.00 0.00 -0.306 N ATOM 9 H LIG 1 -1.224 0.388 1.066 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -1.128 2.393 0.722 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -1.702 3.419 0.362 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -3.170 1.016 0.592 0.00 0.00 +0.112 C BRANCH 12 13 ATOM 13 C LIG 1 -3.962 0.099 1.515 0.00 0.00 -0.027 A ATOM 14 C LIG 1 -5.326 0.367 1.732 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.099 -0.451 2.558 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.524 -1.556 3.178 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.177 -1.841 2.972 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.402 -1.021 2.147 0.00 0.00 +0.005 A ENDBRANCH 12 13 BRANCH 12 19 ATOM 19 C LIG 1 -3.253 0.603 -0.886 0.00 0.00 +0.122 C BRANCH 19 23 ATOM 20 C LIG 1 -1.772 -2.034 -3.143 0.00 0.00 +0.128 C ATOM 21 N LIG 1 -2.586 -0.989 -2.575 0.00 0.00 -0.318 N ATOM 22 H LIG 1 -2.933 -0.280 -3.208 0.00 0.00 +0.148 HD ATOM 23 C LIG 1 -2.449 -0.634 -1.246 0.00 0.00 +0.215 C ATOM 24 O LIG 1 -1.736 -1.251 -0.459 0.00 0.00 -0.276 OA ENDBRANCH 19 23 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 2.869 3.607 2.269 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 2.838 4.580 2.241 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 1.602 -0.821 -0.790 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 C LIG 1 2.650 -0.618 -1.842 0.00 0.00 +0.150 A ATOM 29 O LIG 1 2.201 -0.620 -3.130 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 3.264 -0.440 -3.994 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 4.349 -0.333 -3.221 0.00 0.00 +0.081 A ATOM 32 C LIG 1 5.682 -0.136 -3.833 0.00 0.00 +0.069 C ATOM 33 C LIG 1 4.015 -0.440 -1.853 0.00 0.00 +0.071 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 2.084 -1.648 0.432 0.00 0.00 +0.002 C ATOM 35 C LIG 1 2.646 -3.018 0.008 0.00 0.00 +0.008 C ATOM 36 C LIG 1 0.953 -1.915 1.437 0.00 0.00 +0.008 C ENDBRANCH 27 34 ENDBRANCH 3 27 TORSDOF 9