REMARK Name = BDB039373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.470 0.436 -1.609 0.00 0.00 +0.025 A ATOM 2 C LIG 1 -0.797 0.632 -2.995 0.00 0.00 +0.145 A ATOM 3 N LIG 1 -2.041 1.177 -3.289 0.00 0.00 -0.306 N ATOM 4 C LIG 1 -2.116 1.288 -4.654 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.923 0.798 -5.129 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.986 1.520 -2.330 0.00 0.00 +0.097 A ATOM 7 C LIG 1 -2.723 1.302 -1.027 0.00 0.00 -0.016 A ATOM 8 N LIG 1 -0.114 0.393 -4.099 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -1.405 0.759 -0.681 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.900 -0.464 1.063 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.515 -1.554 0.290 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.098 -2.609 0.131 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.222 -1.218 -0.315 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.812 0.009 0.198 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.611 0.570 -0.203 0.00 0.00 +0.014 A ATOM 16 C LIG 1 0.820 -0.125 -1.139 0.00 0.00 -0.014 A ATOM 17 C LIG 1 1.269 -1.365 -1.652 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.478 -1.927 -1.235 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.819 0.513 1.176 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.478 2.586 0.775 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 7.861 1.608 1.186 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.145 1.672 2.354 0.00 0.00 -0.255 N ATOM 23 H LIG 1 7.176 2.562 2.833 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.191 0.787 2.797 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.423 1.112 3.703 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.030 -0.517 1.998 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.366 -0.836 1.316 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.788 0.314 0.415 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.683 1.672 0.082 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -4.601 0.629 0.549 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -5.514 0.127 -0.468 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -6.715 -0.555 0.200 0.00 0.00 +0.027 C ATOM 33 C LIG 1 -6.361 -1.233 1.537 0.00 0.00 +0.096 C ATOM 34 C LIG 1 -4.889 -1.647 1.544 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -3.967 -0.439 1.324 0.00 0.00 +0.085 C BRANCH 33 36 ATOM 36 C LIG 1 -7.273 -2.412 1.810 0.00 0.00 +0.393 C ATOM 37 F LIG 1 -7.001 -2.969 3.011 0.00 0.00 -0.170 F ATOM 38 F LIG 1 -8.569 -2.030 1.823 0.00 0.00 -0.170 F ATOM 39 F LIG 1 -7.137 -3.374 0.872 0.00 0.00 -0.170 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5