REMARK Name = BDB024965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.166 -1.489 1.681 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.863 -0.998 1.876 0.00 0.00 -0.234 N ATOM 3 C LIG 1 3.328 -1.078 3.252 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.022 -0.070 4.184 0.00 0.00 +0.028 C ATOM 5 C LIG 1 1.811 -0.863 3.372 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.087 -1.499 2.204 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.596 -0.842 0.955 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.735 -0.476 -0.100 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.620 -0.632 -0.196 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.979 -0.115 -1.354 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.128 0.345 -2.046 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.237 0.132 -1.243 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.601 0.402 -1.394 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.452 0.026 -0.345 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.981 -0.606 0.814 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.906 -1.830 2.602 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.195 0.905 -3.384 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.664 2.152 -3.654 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -1.357 1.898 -4.992 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -0.536 0.807 -5.663 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -0.124 -0.090 -4.506 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 23 ATOM 22 C LIG 1 6.835 -2.176 0.176 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.532 -1.627 0.375 0.00 0.00 -0.453 OA ENDBRANCH 1 23 BRANCH 10 24 ATOM 24 C LIG 1 -2.403 -0.079 -1.817 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -3.263 0.925 -1.017 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 -3.553 0.613 0.450 0.00 0.00 -0.031 A ATOM 27 C LIG 1 -3.866 1.674 1.317 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -4.168 1.432 2.656 0.00 0.00 +0.127 A ATOM 29 F LIG 1 -4.450 2.473 3.452 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -4.186 0.138 3.172 0.00 0.00 -0.015 A ATOM 31 C LIG 1 -4.476 -0.095 4.623 0.00 0.00 +0.047 C ATOM 32 C LIG 1 -3.867 -0.923 2.320 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -3.562 -0.689 0.974 0.00 0.00 +0.005 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -4.519 1.175 -1.847 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -4.483 1.760 -2.924 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.677 0.669 -1.373 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -5.617 0.228 -0.503 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 7