REMARK Name = BDB058942 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.235 1.633 1.085 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.429 0.256 1.264 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.318 -0.451 2.215 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.257 0.235 2.995 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.465 1.601 2.816 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.725 2.294 1.861 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.036 2.044 -0.609 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.940 2.417 0.146 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.665 3.389 0.092 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.666 0.997 -0.526 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 3.488 5.030 -3.413 0.00 0.00 +0.029 A ATOM 12 C LIG 1 4.350 4.174 -2.703 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.875 3.206 -1.807 0.00 0.00 +0.015 A ATOM 14 C LIG 1 2.508 3.078 -1.572 0.00 0.00 +0.037 A ATOM 15 C LIG 1 1.622 3.906 -2.260 0.00 0.00 +0.015 A ATOM 16 C LIG 1 2.113 4.868 -3.156 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 3.053 6.542 -5.307 0.00 0.00 +0.129 C ATOM 18 N LIG 1 3.964 6.011 -4.293 0.00 0.00 -0.336 N ATOM 19 C LIG 1 5.379 6.009 -4.662 0.00 0.00 +0.129 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 N LIG 1 -0.188 -1.833 2.457 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -0.764 -2.222 3.197 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 0.552 -2.761 1.748 0.00 0.00 +0.255 C ATOM 23 O LIG 1 1.231 -2.559 0.747 0.00 0.00 -0.272 OA BRANCH 22 24 ATOM 24 C LIG 1 0.470 -4.164 2.360 0.00 0.00 +0.324 C BRANCH 24 25 ATOM 25 O LIG 1 -0.702 -4.409 3.131 0.00 0.00 -0.483 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.843 -4.766 2.465 0.00 0.00 +0.125 A ATOM 27 C LIG 1 -2.890 -5.182 3.296 0.00 0.00 +0.092 A ATOM 28 C LIG 1 -4.116 -5.561 2.750 0.00 0.00 +0.142 A ATOM 29 C LIG 1 -4.303 -5.520 1.370 0.00 0.00 +0.064 A ATOM 30 C LIG 1 -5.608 -5.923 0.818 0.00 0.00 +0.192 A ATOM 31 C LIG 1 -6.625 -6.349 1.794 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -6.308 -6.339 3.091 0.00 0.00 +0.199 A ATOM 33 O LIG 1 -5.848 -5.910 -0.382 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 -3.268 -5.099 0.533 0.00 0.00 +0.019 A ATOM 35 O LIG 1 -5.098 -5.962 3.624 0.00 0.00 -0.463 OA ATOM 36 C LIG 1 -2.038 -4.721 1.082 0.00 0.00 +0.046 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 3 20 TORSDOF 7