REMARK Name = BDB035618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.151 -1.798 -0.516 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.417 -0.774 0.249 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.086 0.182 0.811 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.860 -1.039 0.313 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.846 -0.298 0.940 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.166 -0.761 0.855 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.445 -1.949 0.135 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.429 -2.692 -0.495 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.128 -2.207 -0.390 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.855 -2.761 -0.943 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.833 -1.095 -0.845 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.468 -0.954 -0.528 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.525 -1.938 -0.858 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.981 -3.074 -1.542 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.332 -3.230 -1.865 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.254 -2.249 -1.515 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.821 -0.001 -0.450 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.432 -0.508 2.599 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.641 -0.729 1.854 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.854 -0.523 0.513 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -7.096 -0.875 0.234 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.697 -1.300 1.394 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.811 -1.210 2.356 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.452 0.638 -1.708 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -6.153 1.954 -1.376 0.00 0.00 -0.010 C ATOM 26 C LIG 1 -5.256 3.173 -1.021 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -6.262 4.046 -1.797 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -6.631 2.782 -2.599 0.00 0.00 +0.003 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.728 -3.949 -1.266 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.436 -3.821 -2.590 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.990 -5.007 -0.827 0.00 0.00 -0.166 F ATOM 32 F LIG 1 5.027 -4.343 -1.200 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.295 0.013 1.502 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.108 0.669 0.477 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.483 1.187 -0.143 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.184 1.490 1.059 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.772 2.360 -0.094 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.701 3.565 0.868 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.599 2.808 1.639 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.212 0.719 1.868 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9