REMARK Name = BDB011480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.589 -0.568 -0.846 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -1.825 0.913 -1.155 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -3.291 1.135 -1.644 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -3.402 1.038 -3.156 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -2.632 2.033 -3.825 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -1.525 2.539 -3.083 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -0.861 1.448 -2.256 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -1.778 1.651 0.059 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 -0.581 1.913 0.646 0.00 0.00 +0.143 A ATOM 10 C LIG 1 0.585 1.129 0.691 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.686 1.739 1.350 0.00 0.00 +0.027 A ATOM 12 C LIG 1 1.629 3.000 1.960 0.00 0.00 +0.002 A ATOM 13 C LIG 1 0.452 3.717 1.940 0.00 0.00 +0.004 A ATOM 14 N LIG 1 0.759 -0.210 0.140 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -0.642 3.171 1.288 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.146 -0.979 -0.589 0.00 0.00 +0.244 C ATOM 17 O LIG 1 0.186 -2.091 -1.036 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -2.478 -1.119 1.460 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -2.516 -1.221 0.086 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -3.421 -1.522 -0.267 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -1.536 -0.675 2.103 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.732 -1.715 2.140 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.551 -3.228 2.239 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -6.170 -1.752 1.967 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.925 -1.325 1.336 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.933 -0.302 1.297 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 2.005 -0.940 0.474 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 3.223 -0.608 -0.389 0.00 0.00 -0.019 A ATOM 29 C LIG 1 4.545 -0.865 0.077 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.652 -0.534 -0.755 0.00 0.00 +0.092 A ATOM 31 C LIG 1 6.971 -0.763 -0.300 0.00 0.00 +0.030 A ATOM 32 C LIG 1 7.218 -1.320 0.950 0.00 0.00 +0.002 A ATOM 33 C LIG 1 6.150 -1.663 1.766 0.00 0.00 +0.001 A ATOM 34 N LIG 1 5.435 0.016 -2.036 0.00 0.00 -0.139 N ATOM 35 O LIG 1 6.403 0.333 -2.810 0.00 0.00 -0.164 OA ATOM 36 C LIG 1 4.141 0.216 -2.474 0.00 0.00 +0.134 A ATOM 37 C LIG 1 4.838 -1.442 1.337 0.00 0.00 +0.010 A ATOM 38 C LIG 1 3.045 -0.092 -1.680 0.00 0.00 +0.027 A ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 5