REMARK Name = BDB039054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.477 -0.689 1.509 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.482 -0.936 0.580 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.269 -0.122 0.544 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.188 -0.641 -0.369 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.365 -1.805 -1.153 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.335 -2.278 -1.978 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.113 -1.607 -2.079 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.043 -0.447 -1.313 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.084 0.443 -1.151 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.683 1.415 -0.255 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.545 1.177 0.163 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.657 -2.578 -1.054 0.00 0.00 +0.054 C ATOM 13 C LIG 1 0.956 0.034 -0.476 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.814 -1.682 -0.623 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.591 -1.201 1.476 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.523 2.584 0.193 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.869 3.918 -0.225 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.053 4.543 0.902 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.911 4.833 2.135 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.087 3.869 2.303 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.782 2.499 1.711 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 6.082 0.473 3.452 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.085 0.193 2.470 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.371 0.357 -1.824 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 -3.477 -0.235 -0.943 0.00 0.00 +0.057 C BRANCH 25 26 ATOM 26 C LIG 1 -3.342 -1.725 -0.706 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -3.830 -2.707 -1.596 0.00 0.00 +0.062 A ATOM 28 C LIG 1 -3.652 -4.069 -1.291 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -2.996 -4.461 -0.124 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.508 -3.498 0.751 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.680 -2.145 0.465 0.00 0.00 +0.004 A BRANCH 27 32 ATOM 32 C LIG 1 -4.510 -2.341 -2.872 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -4.451 -1.272 -3.450 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -5.253 -3.347 -3.368 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -5.649 -2.976 -4.184 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7