REMARK Name = BDB065066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.240 0.052 1.669 0.00 0.00 +0.180 A ATOM 2 N LIG 1 -2.522 0.958 0.991 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -2.145 2.058 1.674 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.507 2.273 2.997 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -2.111 3.481 3.702 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.381 4.396 3.058 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.956 4.206 1.647 0.00 0.00 +0.253 A ATOM 8 O LIG 1 -0.281 5.089 1.123 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -3.253 1.272 3.586 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.355 3.040 1.018 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -3.626 0.147 2.949 0.00 0.00 -0.234 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -2.865 -2.998 2.661 0.00 0.00 +0.048 C ATOM 13 C LIG 1 -3.420 -2.495 1.382 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -3.575 -1.174 0.975 0.00 0.00 +0.109 A ATOM 15 N LIG 1 -4.138 -1.241 -0.281 0.00 0.00 -0.258 N ATOM 16 N LIG 1 -4.314 -2.510 -0.718 0.00 0.00 -0.178 NA ATOM 17 C LIG 1 -3.892 -3.261 0.298 0.00 0.00 +0.138 A BRANCH 15 18 ATOM 18 C LIG 1 -4.581 -0.144 -1.141 0.00 0.00 +0.102 C ATOM 19 C LIG 1 -6.075 -0.242 -1.456 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -3.751 -0.079 -2.422 0.00 0.00 +0.032 C ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 10 21 ATOM 21 C LIG 1 -0.879 2.768 -0.334 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 C LIG 1 0.382 1.926 -0.350 0.00 0.00 -0.028 A ATOM 23 C LIG 1 1.627 2.502 -0.061 0.00 0.00 +0.006 A ATOM 24 C LIG 1 2.786 1.722 -0.044 0.00 0.00 +0.012 A ATOM 25 C LIG 1 2.723 0.354 -0.328 0.00 0.00 +0.017 A ATOM 26 C LIG 1 1.481 -0.229 -0.600 0.00 0.00 +0.012 A ATOM 27 C LIG 1 0.321 0.551 -0.613 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 3.942 -0.449 -0.310 0.00 0.00 +0.142 A ATOM 29 N LIG 1 4.505 -1.075 -1.406 0.00 0.00 -0.327 N ATOM 30 C LIG 1 5.616 -1.754 -0.973 0.00 0.00 +0.120 A ATOM 31 C LIG 1 5.726 -1.488 0.379 0.00 0.00 +0.162 A ATOM 32 N LIG 1 4.683 -0.660 0.762 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 6.765 -1.972 1.347 0.00 0.00 +0.436 C ATOM 34 F LIG 1 7.636 -2.841 0.760 0.00 0.00 -0.164 F ATOM 35 F LIG 1 7.519 -0.959 1.851 0.00 0.00 -0.164 F ATOM 36 F LIG 1 6.224 -2.630 2.406 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 4.047 -1.007 -2.792 0.00 0.00 +0.083 C ATOM 38 C LIG 1 3.555 -2.369 -3.283 0.00 0.00 +0.030 C ATOM 39 C LIG 1 5.122 -0.438 -3.720 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 10 21 TORSDOF 7