REMARK Name = BDB056297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.150 -0.041 -0.334 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.237 -0.801 -1.081 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -0.894 -0.212 -1.660 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.109 1.162 -1.417 0.00 0.00 +0.058 A ATOM 5 C LIG 1 -0.197 1.930 -0.678 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.930 1.325 -0.127 0.00 0.00 +0.014 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.301 1.827 -1.990 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -3.252 2.367 -1.123 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -3.309 2.021 0.302 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.554 2.574 0.990 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -5.854 2.144 0.273 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -5.686 2.172 -1.265 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -4.457 2.963 -1.698 0.00 0.00 +0.108 C ATOM 14 O LIG 1 -2.399 1.839 -3.216 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -6.354 0.759 0.743 0.00 0.00 +0.057 C ATOM 16 N LIG 1 -6.634 0.712 2.189 0.00 0.00 -0.313 NA ATOM 17 H LIG 1 -7.228 1.505 2.435 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -7.408 -0.519 2.370 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -8.303 -0.610 1.146 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.688 0.342 0.127 0.00 0.00 +0.020 C ENDBRANCH 11 15 ENDBRANCH 4 7 BRANCH 1 23 ATOM 21 N LIG 1 3.514 -0.009 0.153 0.00 0.00 -0.281 N ATOM 22 H LIG 1 3.488 0.847 -0.387 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.336 -0.726 0.246 0.00 0.00 +0.248 C ATOM 24 O LIG 1 2.180 -1.843 0.721 0.00 0.00 -0.270 OA BRANCH 21 31 ATOM 25 N LIG 1 9.435 -0.043 1.091 0.00 0.00 -0.294 NA ATOM 26 C LIG 1 8.405 0.916 0.661 0.00 0.00 +0.120 C ATOM 27 C LIG 1 7.119 0.164 0.810 0.00 0.00 -0.027 A ATOM 28 C LIG 1 7.344 -0.992 1.552 0.00 0.00 -0.029 A ATOM 29 C LIG 1 6.308 -1.853 1.861 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.023 -1.540 1.397 0.00 0.00 +0.023 A ATOM 31 C LIG 1 4.785 -0.378 0.642 0.00 0.00 +0.034 A ATOM 32 C LIG 1 5.851 0.488 0.354 0.00 0.00 +0.028 A ATOM 33 C LIG 1 8.791 -1.069 1.930 0.00 0.00 +0.120 C BRANCH 25 35 ATOM 34 C LIG 1 10.587 1.336 2.886 0.00 0.00 +0.020 C ATOM 35 C LIG 1 10.675 0.520 1.600 0.00 0.00 +0.082 C ENDBRANCH 25 35 ENDBRANCH 21 31 ENDBRANCH 1 23 BRANCH 3 36 ATOM 36 N LIG 1 -1.828 -0.954 -2.413 0.00 0.00 -0.314 N ATOM 37 H LIG 1 -2.284 -0.392 -3.135 0.00 0.00 +0.152 HD BRANCH 36 38 ATOM 38 C LIG 1 -2.143 -2.322 -2.462 0.00 0.00 +0.031 A ATOM 39 C LIG 1 -2.643 -2.859 -3.657 0.00 0.00 +0.023 A ATOM 40 C LIG 1 -2.941 -4.221 -3.769 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -2.741 -5.068 -2.683 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.245 -4.552 -1.488 0.00 0.00 +0.002 A ATOM 43 C LIG 1 -1.948 -3.189 -1.382 0.00 0.00 +0.023 A ENDBRANCH 36 38 ENDBRANCH 3 36 TORSDOF 7