REMARK Name = BDB019934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.419 -0.764 -0.076 0.00 0.00 +0.140 A ATOM 2 C LIG 1 -1.797 -0.568 0.142 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.305 -0.656 1.445 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -1.466 -0.936 2.534 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.109 -1.184 2.292 0.00 0.00 +0.022 A ATOM 6 C LIG 1 0.422 -1.119 0.992 0.00 0.00 +0.079 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -2.716 -0.270 -0.943 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -3.598 0.834 -1.150 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -4.287 0.682 -2.302 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -3.839 -0.477 -2.811 0.00 0.00 -0.273 N ATOM 11 C LIG 1 -4.361 -0.947 -4.072 0.00 0.00 +0.172 C ATOM 12 C LIG 1 -2.907 -1.091 -2.033 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 -3.769 2.028 -0.248 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -2.570 2.553 0.125 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.426 1.699 0.899 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -4.471 3.043 -0.819 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 2 7 BRANCH 6 17 ATOM 17 C LIG 1 1.874 -1.438 0.843 0.00 0.00 +0.248 C ATOM 18 N LIG 1 2.297 -1.862 -0.395 0.00 0.00 -0.305 N ATOM 19 H LIG 1 1.645 -1.775 -1.168 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 2.619 -1.341 1.813 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 3.705 -2.024 -0.721 0.00 0.00 +0.100 C ATOM 22 C LIG 1 3.907 -3.335 -1.481 0.00 0.00 +0.033 C BRANCH 21 23 ATOM 23 C LIG 1 4.195 -0.779 -1.448 0.00 0.00 -0.027 A ATOM 24 C LIG 1 4.563 0.347 -0.683 0.00 0.00 +0.011 A ATOM 25 C LIG 1 4.992 1.534 -1.292 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.346 2.735 -0.469 0.00 0.00 +0.047 C ATOM 27 C LIG 1 5.026 1.595 -2.684 0.00 0.00 +0.126 A ATOM 28 F LIG 1 5.406 2.725 -3.296 0.00 0.00 -0.205 F ATOM 29 C LIG 1 4.662 0.501 -3.461 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.245 -0.682 -2.847 0.00 0.00 +0.008 A ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 6 17 BRANCH 1 31 ATOM 31 O LIG 1 0.088 -0.628 -1.349 0.00 0.00 -0.491 OA BRANCH 31 33 ATOM 32 C LIG 1 0.627 0.919 -3.088 0.00 0.00 +0.048 C ATOM 33 C LIG 1 0.463 0.741 -1.590 0.00 0.00 +0.226 C ENDBRANCH 31 33 ENDBRANCH 1 31 BRANCH 4 34 ATOM 34 C LIG 1 -2.023 -1.008 3.939 0.00 0.00 +0.144 C BRANCH 34 35 ATOM 35 N LIG 1 -2.799 0.176 4.249 0.00 0.00 -0.278 N ATOM 36 C LIG 1 -2.257 1.371 4.627 0.00 0.00 +0.278 C ATOM 37 N LIG 1 -1.079 1.835 4.466 0.00 0.00 -0.253 NA ATOM 38 H LIG 1 -0.520 1.171 3.933 0.00 0.00 +0.191 HD ATOM 39 O LIG 1 -3.176 2.126 5.290 0.00 0.00 -0.464 OA ATOM 40 C LIG 1 -4.436 1.448 5.214 0.00 0.00 +0.251 C ATOM 41 C LIG 1 -4.080 0.009 4.898 0.00 0.00 +0.151 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9