REMARK Name = BDB007601 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.185 -0.846 0.138 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.042 -0.829 0.764 0.00 0.00 -0.309 N ATOM 3 H LIG 1 1.093 -1.095 1.741 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.425 -0.220 -0.889 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.645 -2.031 1.115 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -2.590 -1.303 0.555 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -1.251 -1.654 0.793 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -0.953 -2.747 1.612 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -1.988 -3.458 2.211 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.316 -3.091 1.975 0.00 0.00 +0.023 A BRANCH 5 11 ATOM 11 N LIG 1 -4.995 -1.690 0.976 0.00 0.00 -0.341 N ATOM 12 H LIG 1 -5.595 -2.501 1.110 0.00 0.00 +0.146 HD BRANCH 11 18 ATOM 13 C LIG 1 -9.416 2.133 -1.815 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -8.515 2.244 -0.610 0.00 0.00 +0.212 C ATOM 15 N LIG 1 -7.622 1.203 -0.395 0.00 0.00 -0.302 N ATOM 16 C LIG 1 -6.687 1.293 0.726 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -5.336 0.683 0.373 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -5.449 -0.781 -0.086 0.00 0.00 +0.073 C ATOM 19 C LIG 1 -6.888 -1.157 -0.477 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -7.578 -0.012 -1.205 0.00 0.00 +0.109 C ATOM 21 O LIG 1 -8.595 3.221 0.134 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 2.088 0.081 0.330 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 3.447 -0.346 0.893 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 3.368 -0.396 2.329 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.293 -0.270 2.628 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 4.558 0.641 0.480 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 5.832 0.365 1.186 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.799 1.465 0.977 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.462 1.482 -0.384 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.558 0.310 -1.157 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.209 0.345 -2.397 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.781 1.530 -2.859 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.704 2.688 -2.088 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.909 -0.967 -0.684 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.052 2.664 -0.855 0.00 0.00 +0.005 A ATOM 36 C LIG 1 6.475 -0.903 0.788 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8