REMARK Name = BDB058967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.742 -0.389 -0.488 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -0.856 -0.302 0.675 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.399 0.539 0.369 0.00 0.00 +0.127 C ATOM 4 N LIG 1 1.113 0.099 -0.839 0.00 0.00 -0.294 N ATOM 5 C LIG 1 2.482 0.203 -1.042 0.00 0.00 +0.249 C ATOM 6 O LIG 1 3.069 -0.336 -1.978 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.313 -0.597 -1.850 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -1.170 -0.194 -1.821 0.00 0.00 +0.127 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.299 0.970 -0.086 0.00 0.00 +0.072 A ATOM 10 C LIG 1 3.088 2.331 0.103 0.00 0.00 +0.135 A ATOM 11 F LIG 1 2.118 2.980 -0.557 0.00 0.00 -0.205 F ATOM 12 C LIG 1 3.885 3.047 0.991 0.00 0.00 +0.039 A ATOM 13 C LIG 1 4.914 2.399 1.679 0.00 0.00 +0.007 A ATOM 14 C LIG 1 5.167 1.032 1.470 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.340 0.319 0.588 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 6.277 0.350 2.240 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 7.047 -0.694 1.443 0.00 0.00 +0.074 A ATOM 18 C LIG 1 8.030 -0.269 0.413 0.00 0.00 +0.011 A ATOM 19 C LIG 1 8.698 -1.277 -0.281 0.00 0.00 +0.050 A ATOM 20 C LIG 1 9.639 -0.961 -1.269 0.00 0.00 +0.014 A ATOM 21 C LIG 1 9.911 0.374 -1.563 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.246 1.387 -0.874 0.00 0.00 +0.001 A ATOM 23 C LIG 1 8.405 -2.683 0.037 0.00 0.00 +0.272 A ATOM 24 O LIG 1 8.977 -3.602 -0.539 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 7.465 -2.899 1.014 0.00 0.00 -0.242 N ATOM 26 H LIG 1 7.248 -3.864 1.242 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 8.307 1.070 0.113 0.00 0.00 +0.010 A ATOM 28 N LIG 1 6.796 -1.942 1.710 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 C LIG 1 -5.154 0.130 -1.173 0.00 0.00 +0.168 A ATOM 30 N LIG 1 -3.850 -0.008 -1.392 0.00 0.00 -0.194 NA ATOM 31 C LIG 1 -3.101 -0.230 -0.321 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -3.611 -0.325 0.903 0.00 0.00 -0.181 NA ATOM 33 C LIG 1 -4.925 -0.186 1.045 0.00 0.00 +0.223 A ATOM 34 N LIG 1 -5.733 0.053 0.022 0.00 0.00 -0.194 NA BRANCH 29 38 ATOM 35 C LIG 1 -7.736 0.886 -4.464 0.00 0.00 +0.116 A ATOM 36 N LIG 1 -8.254 0.821 -3.230 0.00 0.00 -0.240 NA ATOM 37 C LIG 1 -7.393 0.577 -2.206 0.00 0.00 +0.124 A ATOM 38 C LIG 1 -6.017 0.388 -2.335 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -5.525 0.459 -3.645 0.00 0.00 +0.016 A ATOM 40 C LIG 1 -6.386 0.705 -4.717 0.00 0.00 +0.044 A BRANCH 35 41 ATOM 41 N LIG 1 -8.630 1.112 -5.505 0.00 0.00 -0.343 N ATOM 42 H LIG 1 -8.351 1.905 -6.071 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -9.544 1.253 -5.082 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 29 38 BRANCH 33 44 ATOM 44 N LIG 1 -5.470 -0.259 2.313 0.00 0.00 -0.295 N ATOM 45 C LIG 1 -4.710 -0.926 3.377 0.00 0.00 +0.136 C ATOM 46 C LIG 1 -5.571 -2.017 4.036 0.00 0.00 +0.179 C ATOM 47 O LIG 1 -6.799 -1.529 4.596 0.00 0.00 -0.377 OA ATOM 48 C LIG 1 -7.332 -0.389 3.904 0.00 0.00 +0.179 C ATOM 49 C LIG 1 -6.930 -0.322 2.422 0.00 0.00 +0.136 C ENDBRANCH 33 44 ENDBRANCH 1 31 TORSDOF 7