REMARK Name = BDB035454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.191 1.676 -0.648 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.639 0.740 -0.022 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.398 -0.349 0.464 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.002 1.282 -0.061 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.163 0.733 0.450 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.356 1.447 0.280 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.340 2.680 -0.416 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.147 3.226 -0.929 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.976 2.499 -0.733 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.577 2.803 -1.161 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.757 0.450 -0.300 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.352 0.584 -0.165 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.601 1.585 -0.803 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.294 2.507 -1.595 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.675 2.413 -1.758 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.390 1.399 -1.122 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.018 -2.353 -0.880 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -4.002 -2.191 0.277 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -4.555 -0.725 0.472 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.880 -1.284 -0.162 0.00 0.00 +0.025 C BRANCH 19 21 ATOM 21 C LIG 1 -4.709 -0.344 1.999 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.628 0.495 2.567 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.679 1.226 1.919 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.349 0.512 3.899 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.317 -0.260 4.143 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -3.909 -0.795 2.945 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 27 ATOM 27 C LIG 1 -5.613 -3.731 -1.122 0.00 0.00 +0.163 C BRANCH 27 29 ATOM 28 C LIG 1 -6.689 -5.542 -0.065 0.00 0.00 +0.193 C ATOM 29 O LIG 1 -6.244 -4.199 0.068 0.00 0.00 -0.383 OA ENDBRANCH 27 29 ENDBRANCH 17 27 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.132 4.531 -1.678 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.248 5.420 -1.146 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.755 4.372 -2.977 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.334 5.168 -1.707 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.662 0.882 0.798 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.408 0.255 -0.293 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.766 -0.334 -0.823 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.614 -0.454 0.186 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.227 -1.193 -1.040 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.391 -2.435 -0.675 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.227 -1.852 0.743 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.597 0.401 0.959 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9