REMARK Name = BDB058965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.376 0.686 0.495 0.00 0.00 -0.297 N ATOM 2 C LIG 1 -0.570 -0.494 0.158 0.00 0.00 +0.127 C ATOM 3 C LIG 1 0.905 -0.288 0.541 0.00 0.00 +0.127 C ATOM 4 N LIG 1 1.070 0.031 1.968 0.00 0.00 -0.294 N ATOM 5 C LIG 1 2.194 -0.239 2.739 0.00 0.00 +0.249 C ATOM 6 O LIG 1 2.348 0.189 3.881 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.038 0.763 2.593 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -0.900 1.547 1.587 0.00 0.00 +0.127 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 3.297 -1.031 2.172 0.00 0.00 +0.072 A ATOM 10 C LIG 1 3.120 -2.374 1.855 0.00 0.00 +0.135 A ATOM 11 F LIG 1 1.925 -2.964 2.001 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.184 -3.126 1.369 0.00 0.00 +0.039 A ATOM 13 C LIG 1 5.440 -2.532 1.216 0.00 0.00 +0.007 A ATOM 14 C LIG 1 5.642 -1.183 1.553 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.562 -0.440 2.051 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 7.015 -0.559 1.423 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 7.561 -0.619 0.001 0.00 0.00 +0.074 A ATOM 18 C LIG 1 7.145 0.395 -1.003 0.00 0.00 +0.011 A ATOM 19 C LIG 1 7.660 0.262 -2.291 0.00 0.00 +0.050 A ATOM 20 C LIG 1 7.317 1.174 -3.297 0.00 0.00 +0.014 A ATOM 21 C LIG 1 6.451 2.228 -3.009 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.934 2.370 -1.722 0.00 0.00 +0.001 A ATOM 23 C LIG 1 8.577 -0.851 -2.587 0.00 0.00 +0.272 A ATOM 24 O LIG 1 9.047 -1.014 -3.708 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 8.870 -1.688 -1.539 0.00 0.00 -0.242 N ATOM 26 H LIG 1 9.501 -2.462 -1.724 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 6.277 1.457 -0.719 0.00 0.00 +0.010 A ATOM 28 N LIG 1 8.379 -1.594 -0.276 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 C LIG 1 -4.510 -0.512 -0.592 0.00 0.00 +0.167 A ATOM 30 N LIG 1 -3.192 -0.445 -0.431 0.00 0.00 -0.194 NA ATOM 31 C LIG 1 -2.743 0.575 0.288 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -3.550 1.507 0.786 0.00 0.00 -0.181 NA ATOM 33 C LIG 1 -4.858 1.381 0.577 0.00 0.00 +0.223 A ATOM 34 N LIG 1 -5.378 0.368 -0.102 0.00 0.00 -0.194 NA BRANCH 29 40 ATOM 35 C LIG 1 -4.686 -3.597 -2.833 0.00 0.00 +0.061 A ATOM 36 C LIG 1 -6.068 -3.813 -2.853 0.00 0.00 +0.144 A ATOM 37 F LIG 1 -6.566 -4.854 -3.539 0.00 0.00 -0.204 F ATOM 38 C LIG 1 -6.944 -2.957 -2.199 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -6.436 -1.876 -1.474 0.00 0.00 +0.014 A ATOM 40 C LIG 1 -5.049 -1.643 -1.378 0.00 0.00 +0.021 A ATOM 41 C LIG 1 -4.193 -2.541 -2.057 0.00 0.00 +0.037 A BRANCH 35 42 ATOM 42 N LIG 1 -3.799 -4.532 -3.394 0.00 0.00 -0.356 N ATOM 43 H LIG 1 -2.905 -4.143 -3.678 0.00 0.00 +0.142 HD ATOM 44 H LIG 1 -4.237 -5.097 -4.119 0.00 0.00 +0.142 HD ENDBRANCH 35 42 ENDBRANCH 29 40 BRANCH 33 45 ATOM 45 N LIG 1 -5.719 2.336 1.129 0.00 0.00 -0.295 N ATOM 46 C LIG 1 -7.059 2.372 0.520 0.00 0.00 +0.136 C ATOM 47 C LIG 1 -7.948 3.382 1.261 0.00 0.00 +0.179 C ATOM 48 O LIG 1 -7.345 4.685 1.303 0.00 0.00 -0.377 OA ATOM 49 C LIG 1 -6.087 4.617 1.994 0.00 0.00 +0.179 C ATOM 50 C LIG 1 -5.105 3.665 1.293 0.00 0.00 +0.136 C ENDBRANCH 33 45 ENDBRANCH 1 31 TORSDOF 7