REMARK Name = BDB034624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.833 -0.107 -0.329 0.00 0.00 -0.280 N ATOM 2 H LIG 1 -0.840 -0.056 0.688 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.989 0.364 -0.921 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -2.244 0.421 -2.118 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.565 -1.598 -0.611 0.00 0.00 -0.035 A ATOM 6 C LIG 1 1.364 -1.043 -0.113 0.00 0.00 +0.027 A ATOM 7 C LIG 1 0.308 -0.646 -0.948 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.442 -0.801 -2.324 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.610 -1.345 -2.854 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.651 -1.735 -2.010 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 3.776 -2.017 0.357 0.00 0.00 +0.049 C ATOM 12 C LIG 1 3.397 -2.757 1.669 0.00 0.00 +0.174 C ATOM 13 O LIG 1 4.434 -3.743 1.458 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.538 -3.340 0.067 0.00 0.00 +0.174 C BRANCH 11 15 ATOM 15 C LIG 1 4.701 -0.815 0.639 0.00 0.00 +0.092 C BRANCH 15 18 ATOM 16 C LIG 1 4.105 1.916 -0.764 0.00 0.00 +0.151 C ATOM 17 N LIG 1 5.047 0.919 -1.196 0.00 0.00 -0.320 N ATOM 18 C LIG 1 5.339 -0.280 -0.599 0.00 0.00 +0.134 A ATOM 19 N LIG 1 6.261 -0.889 -1.318 0.00 0.00 -0.135 NA ATOM 20 N LIG 1 6.562 -0.094 -2.396 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 5.827 0.988 -2.309 0.00 0.00 +0.224 A ENDBRANCH 15 18 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -2.999 0.846 0.081 0.00 0.00 +0.127 A ATOM 23 N LIG 1 -2.623 0.776 1.389 0.00 0.00 -0.238 NA ATOM 24 C LIG 1 -3.521 1.205 2.322 0.00 0.00 +0.145 A ATOM 25 C LIG 1 -4.780 1.696 1.962 0.00 0.00 +0.036 A ATOM 26 C LIG 1 -5.146 1.761 0.611 0.00 0.00 -0.034 A ATOM 27 C LIG 1 -4.231 1.324 -0.348 0.00 0.00 +0.037 A BRANCH 24 28 ATOM 28 C LIG 1 -3.155 1.134 3.801 0.00 0.00 +0.434 C ATOM 29 F LIG 1 -1.833 0.881 4.022 0.00 0.00 -0.164 F ATOM 30 F LIG 1 -3.423 2.295 4.466 0.00 0.00 -0.164 F ATOM 31 F LIG 1 -3.837 0.158 4.465 0.00 0.00 -0.164 F ENDBRANCH 24 28 BRANCH 26 32 ATOM 32 C LIG 1 -6.503 2.282 0.204 0.00 0.00 +0.130 C BRANCH 32 33 ATOM 33 C LIG 1 -7.631 1.354 0.614 0.00 0.00 +0.215 C ATOM 34 O LIG 1 -7.983 1.195 1.778 0.00 0.00 -0.276 OA ATOM 35 N LIG 1 -8.246 0.681 -0.401 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -7.842 0.602 -1.325 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -8.944 -0.003 -0.134 0.00 0.00 +0.145 HD ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 3 22 TORSDOF 8