REMARK Name = BDB038577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.547 0.363 -1.307 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.228 0.586 -0.890 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.311 -0.459 -0.875 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.660 -1.682 -1.316 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.913 -1.923 -1.764 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.873 -0.917 -1.763 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.011 -0.261 -0.368 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.027 -1.246 -0.289 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.019 -2.418 -0.620 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.144 -0.618 0.338 0.00 0.00 +0.042 A ATOM 11 C LIG 1 0.830 0.702 0.638 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.759 1.521 1.251 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.015 0.981 1.553 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.338 -0.364 1.244 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.377 -1.177 0.626 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.567 0.998 0.209 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.700 -0.920 1.595 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.762 -0.155 0.939 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.598 -0.170 -0.067 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.078 -0.721 1.234 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 8.185 0.115 0.584 0.00 0.00 +0.003 C ATOM 22 C LIG 1 8.165 0.119 -0.945 0.00 0.00 +0.005 C ATOM 23 C LIG 1 9.568 0.575 -1.339 0.00 0.00 +0.000 C ATOM 24 C LIG 1 10.472 0.248 -0.151 0.00 0.00 +0.000 C ATOM 25 C LIG 1 9.581 -0.432 0.881 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.838 2.162 -0.053 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.567 1.432 -1.239 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.297 1.759 -2.399 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -7.256 2.776 -2.395 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.504 3.499 -1.228 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.794 3.194 -0.064 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -6.002 -0.379 1.810 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.185 0.793 1.982 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.123 1.920 1.200 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -4.267 2.759 1.756 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -3.742 2.166 2.879 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -4.302 0.987 3.001 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.481 4.548 -1.224 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.281 5.389 -1.223 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -4.256 -3.310 -2.256 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.669 -4.524 -1.575 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -5.127 -4.213 -1.412 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9