REMARK Name = BDB037918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.033 1.349 1.683 0.00 0.00 +0.087 A ATOM 2 C LIG 1 -1.352 1.425 1.634 0.00 0.00 +0.064 A ATOM 3 C LIG 1 -1.811 2.789 1.459 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -0.744 3.686 1.380 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.947 5.068 1.189 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -2.251 5.553 1.081 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.332 4.689 1.166 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.124 3.319 1.354 0.00 0.00 +0.010 A ATOM 9 S LIG 1 0.763 2.887 1.563 0.00 0.00 -0.083 S ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -2.241 0.271 1.780 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -1.929 -0.839 1.019 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -1.448 -0.884 -0.359 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -2.684 -1.754 -0.670 0.00 0.00 +0.087 C ATOM 14 C LIG 1 -2.472 -2.986 -1.597 0.00 0.00 +0.229 C ATOM 15 O LIG 1 -1.607 -3.849 -1.546 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 -3.440 -2.949 -2.551 0.00 0.00 -0.256 N ATOM 17 H LIG 1 -3.506 -3.636 -3.287 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 -4.267 -1.867 -2.481 0.00 0.00 +0.220 C ATOM 19 O LIG 1 -5.166 -1.618 -3.265 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -3.880 -1.022 -1.290 0.00 0.00 +0.115 C ATOM 21 C LIG 1 -2.780 -2.015 0.846 0.00 0.00 +0.126 C ATOM 22 O LIG 1 -3.241 0.310 2.492 0.00 0.00 -0.270 OA ENDBRANCH 2 10 BRANCH 1 29 ATOM 23 C LIG 1 6.308 -1.974 -0.985 0.00 0.00 +0.109 C ATOM 24 C LIG 1 5.028 -1.436 -1.572 0.00 0.00 +0.213 C ATOM 25 N LIG 1 4.019 -1.101 -0.683 0.00 0.00 -0.299 N ATOM 26 C LIG 1 4.099 -1.290 0.770 0.00 0.00 +0.126 C ATOM 27 C LIG 1 2.723 -1.313 1.447 0.00 0.00 +0.127 C ATOM 28 N LIG 1 1.895 -0.153 1.105 0.00 0.00 -0.294 N ATOM 29 C LIG 1 0.845 0.175 1.969 0.00 0.00 +0.254 C ATOM 30 O LIG 1 0.596 -0.541 2.939 0.00 0.00 -0.269 OA ATOM 31 C LIG 1 2.122 0.446 -0.219 0.00 0.00 +0.127 C ATOM 32 C LIG 1 2.779 -0.527 -1.208 0.00 0.00 +0.126 C ATOM 33 O LIG 1 4.903 -1.312 -2.790 0.00 0.00 -0.276 OA ENDBRANCH 1 29 TORSDOF 2