REMARK Name = BDB025154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.792 2.189 0.072 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.532 2.313 -0.541 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.284 3.471 -1.425 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.746 3.176 -2.858 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.837 3.946 -1.355 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.893 2.833 -1.748 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.203 1.567 -1.002 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.199 0.576 -0.892 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.079 0.597 -1.384 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.653 -0.534 -1.008 0.00 0.00 +0.129 A ATOM 11 N LIG 1 0.255 -1.325 -0.322 0.00 0.00 -0.323 N ATOM 12 C LIG 1 1.440 -0.612 -0.223 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.676 -0.880 0.361 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.673 0.100 0.243 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.478 1.322 -0.423 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.137 1.336 0.881 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.078 -2.683 0.193 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.958 -2.780 1.325 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.846 -4.028 1.217 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -0.992 -5.264 0.935 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.177 -5.145 -0.356 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.104 -3.726 -0.919 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.661 -4.221 2.477 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -2.499 -3.671 3.553 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.642 -5.131 2.318 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.106 -5.126 3.181 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.957 3.098 0.269 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.660 3.171 -0.326 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.076 -0.887 -1.342 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 N LIG 1 -3.027 0.007 -0.679 0.00 0.00 -0.290 N ATOM 31 C LIG 1 -3.876 -0.495 0.302 0.00 0.00 +0.247 C ATOM 32 O LIG 1 -3.952 -1.687 0.585 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -4.740 0.485 1.020 0.00 0.00 +0.040 A ATOM 34 C LIG 1 -4.913 1.783 0.515 0.00 0.00 -0.034 A ATOM 35 C LIG 1 -5.758 2.676 1.185 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.404 2.283 2.359 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.222 0.996 2.864 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -4.238 2.169 -0.769 0.00 0.00 +0.055 C ATOM 39 C LIG 1 -5.395 0.095 2.194 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -2.899 1.449 -0.890 0.00 0.00 +0.113 C ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6