REMARK Name = BDB001325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.972 2.190 -2.738 0.00 0.00 +0.152 C ATOM 2 N LIG 1 2.595 1.217 -1.740 0.00 0.00 -0.315 N ATOM 3 C LIG 1 1.325 0.724 -1.541 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.478 -0.174 -0.490 0.00 0.00 +0.094 A ATOM 5 C LIG 1 0.369 -0.885 -0.012 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -0.875 -0.645 -0.601 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -1.013 0.246 -1.669 0.00 0.00 +0.048 A ATOM 8 N LIG 1 2.780 -0.217 -0.069 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 0.089 0.957 -2.159 0.00 0.00 +0.031 A ATOM 10 C LIG 1 3.450 0.623 -0.827 0.00 0.00 +0.201 A ENDROOT BRANCH 10 11 ATOM 11 N LIG 1 4.769 0.939 -0.804 0.00 0.00 -0.285 N ATOM 12 H LIG 1 5.133 1.612 -1.465 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 5.778 0.422 0.039 0.00 0.00 +0.034 A ATOM 14 C LIG 1 7.083 0.928 -0.096 0.00 0.00 +0.024 A ATOM 15 C LIG 1 8.133 0.468 0.708 0.00 0.00 +0.014 A ATOM 16 C LIG 1 7.909 -0.520 1.673 0.00 0.00 +0.055 A ATOM 17 C LIG 1 6.611 -1.022 1.823 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.565 -0.556 1.014 0.00 0.00 +0.024 A BRANCH 16 19 ATOM 19 C LIG 1 9.030 -1.003 2.558 0.00 0.00 +0.417 C ATOM 20 F LIG 1 9.177 -0.236 3.674 0.00 0.00 -0.166 F ATOM 21 F LIG 1 10.243 -0.988 1.935 0.00 0.00 -0.166 F ATOM 22 F LIG 1 8.858 -2.280 3.001 0.00 0.00 -0.166 F ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 6 23 ATOM 23 O LIG 1 -1.946 -1.374 -0.129 0.00 0.00 -0.456 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.044 -0.658 0.291 0.00 0.00 +0.132 A ATOM 25 C LIG 1 -4.292 -1.136 -0.089 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -5.412 -0.447 0.349 0.00 0.00 +0.109 A ATOM 27 N LIG 1 -5.352 0.658 1.139 0.00 0.00 -0.252 NA ATOM 28 C LIG 1 -4.121 1.077 1.508 0.00 0.00 +0.115 A ATOM 29 C LIG 1 -2.947 0.457 1.119 0.00 0.00 +0.066 A BRANCH 26 30 ATOM 30 C LIG 1 -6.761 -0.869 -0.017 0.00 0.00 +0.157 A ATOM 31 N LIG 1 -7.877 -0.205 0.435 0.00 0.00 -0.334 N ATOM 32 H LIG 1 -7.842 0.606 1.042 0.00 0.00 +0.167 HD ATOM 33 C LIG 1 -8.987 -0.828 -0.072 0.00 0.00 +0.140 A ATOM 34 C LIG 1 -8.491 -1.865 -0.826 0.00 0.00 +0.143 A ATOM 35 N LIG 1 -7.119 -1.882 -0.787 0.00 0.00 -0.234 NA BRANCH 33 36 ATOM 36 C LIG 1 -10.357 -0.380 0.209 0.00 0.00 +0.434 C ATOM 37 F LIG 1 -10.371 0.694 1.039 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -11.094 -1.349 0.803 0.00 0.00 -0.164 F ATOM 39 F LIG 1 -11.010 -0.014 -0.920 0.00 0.00 -0.164 F ENDBRANCH 33 36 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 7