REMARK Name = BDB002359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.314 0.316 -0.439 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.963 0.403 0.559 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.790 -0.264 0.313 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.607 -1.154 0.769 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 2.196 1.534 0.132 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.974 -0.368 1.436 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 4.756 -0.835 -0.198 0.00 0.00 +0.230 C ATOM 8 N LIG 1 4.282 -0.067 0.855 0.00 0.00 -0.302 N ATOM 9 H LIG 1 4.522 0.917 0.824 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 4.228 -1.896 -0.525 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 5.985 -0.229 -0.917 0.00 0.00 +0.137 C ATOM 12 C LIG 1 6.001 -0.697 -2.373 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 7.469 -0.044 1.027 0.00 0.00 +0.101 C ATOM 14 N LIG 1 7.252 -0.647 -0.279 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 8.028 -0.400 -0.891 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 2.890 0.091 2.909 0.00 0.00 +0.012 C ATOM 17 C LIG 1 3.956 -0.605 3.764 0.00 0.00 +0.009 C ATOM 18 C LIG 1 1.510 -0.181 3.518 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.620 -0.038 0.305 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -2.719 0.693 -0.090 0.00 0.00 -0.303 N ATOM 21 H LIG 1 -2.653 1.254 -0.926 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 -1.663 -0.915 1.167 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.063 0.317 0.321 0.00 0.00 +0.134 C BRANCH 23 24 ATOM 24 C LIG 1 -4.956 1.532 0.584 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -6.345 1.364 0.746 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -7.178 2.452 1.016 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.637 3.727 1.151 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.263 3.913 1.025 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.429 2.825 0.753 0.00 0.00 +0.006 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -4.603 -0.649 -0.735 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -5.056 -0.196 -1.987 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -5.507 -1.100 -2.950 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.498 -2.467 -2.681 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.036 -2.933 -1.452 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.588 -2.031 -0.486 0.00 0.00 +0.006 A ENDBRANCH 23 30 ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 -0.353 -0.160 -1.911 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -0.421 -1.685 -2.043 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.840 0.376 -2.708 0.00 0.00 +0.009 C ENDBRANCH 1 36 TORSDOF 11