REMARK Name = BDB064983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.290 -1.470 -0.354 0.00 0.00 -0.276 N ATOM 2 C LIG 1 -0.149 -0.399 -1.272 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.191 -0.141 -1.419 0.00 0.00 +0.018 A ATOM 4 C LIG 1 1.745 0.851 -2.225 0.00 0.00 -0.015 A ATOM 5 C LIG 1 0.828 1.628 -2.957 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -0.552 1.356 -2.865 0.00 0.00 +0.003 A ATOM 7 C LIG 1 3.153 0.953 -2.207 0.00 0.00 +0.013 A ATOM 8 C LIG 1 3.938 0.061 -1.425 0.00 0.00 -0.032 A ATOM 9 C LIG 1 3.313 -0.934 -0.644 0.00 0.00 +0.019 A ATOM 10 C LIG 1 1.933 -1.007 -0.666 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -1.046 0.331 -2.035 0.00 0.00 +0.027 A ATOM 12 C LIG 1 0.992 -1.902 0.030 0.00 0.00 +0.264 A ATOM 13 O LIG 1 1.356 -2.778 0.794 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 -3.891 -1.657 0.802 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -2.661 -1.185 0.276 0.00 0.00 +0.031 A ATOM 16 C LIG 1 -1.510 -1.980 0.148 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -1.587 -3.299 0.599 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -2.777 -3.812 1.110 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -3.910 -3.003 1.200 0.00 0.00 +0.005 A BRANCH 14 20 ATOM 20 C LIG 1 -5.162 -0.665 0.931 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -6.543 -1.205 1.443 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -6.929 -1.471 -0.031 0.00 0.00 -0.012 C ATOM 23 C LIG 1 -8.376 -1.225 -0.408 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -5.915 -0.369 -0.419 0.00 0.00 +0.022 C BRANCH 20 27 ATOM 25 C LIG 1 -4.234 -0.255 4.008 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -4.354 0.768 3.010 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -4.739 0.653 1.704 0.00 0.00 +0.144 A ATOM 28 N LIG 1 -4.662 1.838 1.131 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -4.239 2.741 2.076 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -4.054 2.084 3.196 0.00 0.00 +0.224 A ENDBRANCH 20 27 ENDBRANCH 14 20 ENDBRANCH 1 16 BRANCH 8 31 ATOM 31 C LIG 1 5.443 0.218 -1.393 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 5.819 1.163 -0.344 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 5.482 0.812 0.550 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 7.252 1.486 -0.358 0.00 0.00 +0.017 C ATOM 35 C LIG 1 7.444 2.700 0.601 0.00 0.00 +0.022 C ATOM 36 C LIG 1 8.302 3.354 -0.503 0.00 0.00 +0.004 C ATOM 37 C LIG 1 7.556 2.470 -1.524 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.179 0.312 -0.118 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 6