REMARK Name = BDB024969 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.684 0.792 -1.737 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.896 -0.164 -1.072 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.419 -1.536 -0.854 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.553 -1.543 0.187 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.372 -2.564 -0.395 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.055 -2.340 -1.101 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.589 -0.957 -0.752 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.236 -0.678 -0.465 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.172 -1.540 -0.423 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.882 -0.816 -0.086 0.00 0.00 +0.132 A ATOM 11 N LIG 1 -0.535 0.519 0.044 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.829 0.616 -0.173 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.732 1.683 -0.155 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.073 1.401 -0.450 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.519 0.107 -0.753 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.351 1.937 -2.022 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.427 1.633 0.362 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.150 2.212 1.758 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.179 3.278 2.139 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.541 4.225 0.985 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.558 4.135 -0.186 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.475 2.712 -0.740 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.681 5.640 1.501 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.724 6.169 1.852 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.512 6.295 1.620 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.767 7.169 1.986 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.738 1.218 -2.805 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.906 0.296 -2.099 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.267 -1.394 0.082 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 N LIG 1 -2.757 -1.661 -1.265 0.00 0.00 -0.305 N ATOM 31 H LIG 1 -2.193 -2.303 -1.808 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -3.520 -0.745 -1.945 0.00 0.00 +0.210 C ATOM 33 O LIG 1 -3.946 0.292 -1.448 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 -3.793 -1.113 -3.379 0.00 0.00 +0.109 C ENDBRANCH 29 30 BRANCH 29 35 ATOM 35 C LIG 1 -2.198 -2.689 0.922 0.00 0.00 +0.065 C BRANCH 35 36 ATOM 36 C LIG 1 -3.563 -3.216 1.307 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -4.230 -2.705 2.429 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -5.496 -3.180 2.775 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.108 -4.165 2.002 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.455 -4.676 0.882 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.188 -4.204 0.535 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 10 29 TORSDOF 8