REMARK Name = BDB058970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.678 -0.126 -3.430 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 2.372 0.525 -2.435 0.00 0.00 +0.249 C ATOM 3 N LIG 1 1.151 0.414 -1.782 0.00 0.00 -0.294 N ATOM 4 C LIG 1 0.177 -0.559 -2.281 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -0.798 -1.054 -1.197 0.00 0.00 +0.127 C ATOM 6 N LIG 1 -1.427 0.059 -0.472 0.00 0.00 -0.297 N ATOM 7 C LIG 1 -0.840 1.392 -0.606 0.00 0.00 +0.127 C ATOM 8 C LIG 1 0.694 1.304 -0.706 0.00 0.00 +0.127 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 3.377 1.445 -1.881 0.00 0.00 +0.072 A ATOM 10 C LIG 1 3.737 2.580 -2.598 0.00 0.00 +0.135 A ATOM 11 F LIG 1 3.146 2.880 -3.762 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.697 3.449 -2.091 0.00 0.00 +0.039 A ATOM 13 C LIG 1 5.311 3.171 -0.866 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.979 2.011 -0.144 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.993 1.154 -0.657 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 5.642 1.736 1.188 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 6.037 0.280 1.394 0.00 0.00 +0.074 A ATOM 18 C LIG 1 7.239 -0.269 0.715 0.00 0.00 +0.011 A ATOM 19 C LIG 1 7.542 -1.609 0.947 0.00 0.00 +0.050 A ATOM 20 C LIG 1 8.656 -2.205 0.343 0.00 0.00 +0.014 A ATOM 21 C LIG 1 9.471 -1.452 -0.501 0.00 0.00 +0.001 A ATOM 22 C LIG 1 9.173 -0.111 -0.738 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.675 -2.399 1.837 0.00 0.00 +0.272 A ATOM 24 O LIG 1 6.909 -3.577 2.078 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 5.599 -1.737 2.375 0.00 0.00 -0.242 N ATOM 26 H LIG 1 4.988 -2.269 2.988 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 8.061 0.483 -0.133 0.00 0.00 +0.010 A ATOM 28 N LIG 1 5.275 -0.432 2.172 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 9 BRANCH 6 29 ATOM 29 C LIG 1 -2.775 -0.026 -0.177 0.00 0.00 +0.223 A ATOM 30 N LIG 1 -3.435 1.088 0.122 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 -4.728 0.987 0.413 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -5.373 -0.171 0.410 0.00 0.00 -0.194 NA ATOM 33 C LIG 1 -4.644 -1.247 0.122 0.00 0.00 +0.167 A ATOM 34 N LIG 1 -3.350 -1.220 -0.175 0.00 0.00 -0.194 NA BRANCH 33 35 ATOM 35 C LIG 1 -5.338 -2.544 0.106 0.00 0.00 +0.030 A ATOM 36 C LIG 1 -4.628 -3.767 0.219 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -5.322 -4.976 0.191 0.00 0.00 +0.066 A ATOM 38 N LIG 1 -4.369 -5.954 0.317 0.00 0.00 -0.277 N ATOM 39 H LIG 1 -4.512 -6.957 0.332 0.00 0.00 +0.189 HD ATOM 40 N LIG 1 -3.116 -5.489 0.439 0.00 0.00 -0.181 NA ATOM 41 C LIG 1 -6.710 -5.065 0.058 0.00 0.00 +0.028 A ATOM 42 C LIG 1 -7.413 -3.866 -0.044 0.00 0.00 +0.003 A ATOM 43 C LIG 1 -3.275 -4.165 0.382 0.00 0.00 +0.143 A ATOM 44 C LIG 1 -6.746 -2.640 -0.019 0.00 0.00 +0.012 A ENDBRANCH 33 35 BRANCH 31 45 ATOM 45 N LIG 1 -5.439 2.137 0.698 0.00 0.00 -0.295 N ATOM 46 C LIG 1 -6.797 1.982 1.227 0.00 0.00 +0.136 C ATOM 47 C LIG 1 -7.419 3.368 1.457 0.00 0.00 +0.179 C ATOM 48 O LIG 1 -6.685 4.185 2.384 0.00 0.00 -0.377 OA ATOM 49 C LIG 1 -5.285 3.874 2.436 0.00 0.00 +0.179 C ATOM 50 C LIG 1 -4.713 3.343 1.110 0.00 0.00 +0.136 C ENDBRANCH 31 45 ENDBRANCH 6 29 TORSDOF 6