REMARK Name = BDB024643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.705 0.034 -0.291 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.557 -0.757 -0.109 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.723 -2.206 0.131 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.921 -2.496 1.624 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.592 -3.022 -0.487 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.257 -2.594 0.077 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.097 -1.102 0.022 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.795 -0.553 0.085 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.403 -1.206 0.202 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.343 -0.283 0.204 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.779 0.978 0.102 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.595 0.816 0.038 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.662 1.707 -0.046 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.954 1.161 -0.093 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.209 -0.222 -0.067 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.742 1.225 -0.580 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.448 2.278 0.099 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.912 2.699 1.504 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -3.067 3.709 1.471 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.980 4.659 0.274 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -3.036 3.887 -1.056 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.566 2.429 -0.942 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -1.733 5.357 0.383 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -1.756 6.641 -0.229 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.062 0.070 -0.295 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.860 -0.682 -0.120 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.812 -0.573 0.313 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.119 -2.022 0.747 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.979 -3.039 -0.379 0.00 0.00 -0.031 A ATOM 30 C LIG 1 -1.954 -3.997 -0.329 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -1.810 -4.925 -1.356 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -0.824 -5.830 -1.295 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -2.673 -4.927 -2.445 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -3.694 -3.981 -2.511 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -3.845 -3.042 -1.486 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -4.490 -2.116 1.395 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -4.819 -2.896 2.275 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.412 -1.273 0.882 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -6.228 -1.513 1.373 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 28 36 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8