REMARK Name = BDB064098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.209 0.122 1.502 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.109 -0.405 2.785 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.435 0.244 3.744 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.689 -1.633 3.083 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.391 -2.327 2.094 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.532 -1.791 0.802 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.922 -0.560 0.509 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.651 2.314 -0.146 0.00 0.00 +0.183 A ATOM 9 N LIG 1 -3.430 1.882 0.306 0.00 0.00 -0.307 N ATOM 10 C LIG 1 -2.934 0.539 0.486 0.00 0.00 +0.144 C ATOM 11 C LIG 1 -1.720 0.517 1.413 0.00 0.00 +0.130 C ATOM 12 N LIG 1 -0.752 1.568 1.078 0.00 0.00 -0.288 N ATOM 13 C LIG 1 -1.261 2.943 1.013 0.00 0.00 +0.184 C ATOM 14 C LIG 1 0.630 1.436 1.192 0.00 0.00 +0.250 C ATOM 15 O LIG 1 1.419 2.361 1.017 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.674 2.997 0.554 0.00 0.00 +0.151 A ATOM 17 N LIG 1 -3.412 4.063 0.342 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 -4.645 3.638 -0.091 0.00 0.00 -0.128 NA BRANCH 8 22 ATOM 19 C LIG 1 -6.263 -2.096 -1.319 0.00 0.00 +0.065 C ATOM 20 C LIG 1 -6.538 -0.628 -1.186 0.00 0.00 +0.039 A ATOM 21 N LIG 1 -5.527 0.156 -0.736 0.00 0.00 -0.249 NA ATOM 22 C LIG 1 -5.764 1.487 -0.616 0.00 0.00 +0.108 A ATOM 23 C LIG 1 -6.989 2.062 -0.936 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -8.016 1.243 -1.393 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -7.790 -0.122 -1.521 0.00 0.00 +0.023 A ENDBRANCH 8 22 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 3.283 -2.572 -0.256 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.133 -1.715 -1.185 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.420 -1.148 -0.708 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.146 -0.374 -1.611 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.369 0.198 -1.239 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.867 -0.007 0.047 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.145 -0.780 0.955 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.614 -0.162 -2.966 0.00 0.00 +0.272 A ATOM 34 O LIG 1 6.225 0.499 -3.798 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 4.404 -0.751 -3.239 0.00 0.00 -0.242 N ATOM 36 H LIG 1 4.020 -0.610 -4.168 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.924 -1.352 0.583 0.00 0.00 +0.010 A ATOM 38 N LIG 1 3.671 -1.512 -2.384 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4