REMARK Name = BDB042172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.058 -1.733 -0.209 0.00 0.00 +0.123 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.814 -0.463 0.758 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.061 -0.320 1.915 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.441 0.018 3.019 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.679 -0.661 1.568 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.630 -0.930 0.201 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.432 -1.279 -0.399 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.274 -1.348 0.400 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.366 -1.071 1.781 0.00 0.00 +0.129 A ATOM 10 F LIG 1 0.266 -1.141 2.545 0.00 0.00 -0.205 F ATOM 11 C LIG 1 2.569 -0.721 2.384 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.983 -0.754 -0.405 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.494 1.528 -1.279 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.554 1.089 -0.623 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.499 1.892 -0.273 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.528 2.823 -0.668 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.243 1.458 0.085 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.267 2.188 -0.074 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.181 0.034 0.664 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.078 -0.878 -0.167 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.502 -0.343 -0.144 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.407 -0.903 -1.361 0.00 0.00 -0.290 NA ATOM 23 C LIG 1 -1.627 -1.330 -2.073 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -2.909 -1.290 -1.183 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.198 0.047 -0.604 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -1.947 0.675 -0.103 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -1.686 -0.242 -3.156 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -1.082 0.993 -2.476 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -0.728 0.507 -1.062 0.00 0.00 +0.071 C BRANCH 25 30 ATOM 30 C LIG 1 -4.246 -0.018 0.457 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -5.549 -0.685 -0.007 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.161 -1.660 0.800 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.354 -2.268 0.405 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.956 -1.907 -0.798 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.369 -0.938 -1.607 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.176 -0.329 -1.213 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.561 1.343 1.092 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.623 1.464 2.491 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.922 2.690 3.089 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.167 3.811 2.299 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.117 3.708 0.911 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.819 2.483 0.312 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6