REMARK Name = BDB024601 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.631 -0.074 -1.112 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.521 0.782 -1.012 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.721 2.177 -1.458 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.608 2.959 -0.475 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.429 2.982 -1.671 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.343 2.107 -2.260 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.093 0.993 -1.286 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.791 0.548 -0.977 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.409 1.000 -1.455 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.347 0.282 -0.864 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.779 -0.652 -0.013 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.597 -0.487 -0.073 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.669 -1.125 0.558 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.961 -0.685 0.238 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.194 0.345 -0.683 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.763 0.315 -1.392 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.439 -1.678 0.791 0.00 0.00 +0.092 C ATOM 18 C LIG 1 -2.007 -2.829 -0.059 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.086 -3.647 0.673 0.00 0.00 +0.052 C ATOM 20 C LIG 1 -4.511 -3.264 0.264 0.00 0.00 +0.024 C ATOM 21 N LIG 1 -2.884 -3.603 2.120 0.00 0.00 -0.313 NA ATOM 22 H LIG 1 -3.542 -4.223 2.594 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -2.948 -2.269 2.715 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -2.451 -1.146 1.803 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.461 -2.273 -1.105 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.345 -1.397 -0.943 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.812 0.476 -1.136 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.500 1.517 -0.272 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -4.857 1.354 0.053 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -5.528 2.307 0.823 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.856 3.444 1.265 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.518 3.633 0.929 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.847 2.682 0.158 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4