REMARK Name = BDB065057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.218 2.385 -0.555 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 2.481 2.461 0.878 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.999 1.315 1.540 0.00 0.00 +0.148 A ATOM 4 C LIG 1 3.235 1.387 2.905 0.00 0.00 +0.036 A ATOM 5 C LIG 1 3.754 0.247 3.486 0.00 0.00 +0.124 A ATOM 6 N LIG 1 4.020 -0.883 2.806 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 3.732 -0.860 1.494 0.00 0.00 +0.163 A ATOM 8 C LIG 1 2.954 2.597 3.659 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.461 3.659 3.015 0.00 0.00 +0.071 A ATOM 10 N LIG 1 3.256 0.204 0.822 0.00 0.00 -0.209 NA ATOM 11 C LIG 1 2.194 3.634 1.554 0.00 0.00 +0.253 A ATOM 12 O LIG 1 1.739 4.651 1.034 0.00 0.00 -0.268 OA BRANCH 7 13 ATOM 13 C LIG 1 3.994 -2.072 0.728 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.970 -2.951 0.337 0.00 0.00 +0.052 A ATOM 15 CL LIG 1 1.316 -2.683 0.772 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.260 -4.100 -0.409 0.00 0.00 +0.021 A ATOM 17 C LIG 1 4.575 -4.389 -0.772 0.00 0.00 +0.001 A ATOM 18 C LIG 1 5.604 -3.534 -0.387 0.00 0.00 +0.001 A ATOM 19 C LIG 1 5.316 -2.388 0.358 0.00 0.00 +0.013 A ENDBRANCH 7 13 ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 C LIG 1 -1.657 0.652 -1.432 0.00 0.00 +0.017 A ATOM 21 C LIG 1 -0.488 -0.092 -1.614 0.00 0.00 +0.012 A ATOM 22 C LIG 1 0.761 0.467 -1.333 0.00 0.00 +0.006 A ATOM 23 C LIG 1 0.865 1.787 -0.875 0.00 0.00 -0.028 A ATOM 24 C LIG 1 -0.307 2.540 -0.717 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -1.556 1.980 -1.000 0.00 0.00 +0.012 A BRANCH 20 27 ATOM 26 N LIG 1 -3.993 -0.111 -0.821 0.00 0.00 -0.327 N ATOM 27 C LIG 1 -2.953 0.040 -1.719 0.00 0.00 +0.142 A ATOM 28 N LIG 1 -3.283 -0.495 -2.882 0.00 0.00 -0.224 NA ATOM 29 C LIG 1 -4.589 -0.944 -2.770 0.00 0.00 +0.162 A ATOM 30 C LIG 1 -5.041 -0.695 -1.488 0.00 0.00 +0.120 A BRANCH 29 31 ATOM 31 C LIG 1 -5.314 -1.604 -3.907 0.00 0.00 +0.436 C ATOM 32 F LIG 1 -6.665 -1.558 -3.736 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -4.990 -2.920 -4.021 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -5.060 -1.025 -5.109 0.00 0.00 -0.164 F ENDBRANCH 29 31 BRANCH 26 36 ATOM 35 C LIG 1 -4.966 1.363 0.905 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.990 0.227 0.602 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -4.273 -0.997 1.477 0.00 0.00 +0.030 C ENDBRANCH 26 36 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 6