REMARK Name = BDB006395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.680 -0.442 -1.204 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.107 0.270 -2.268 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.012 1.130 -2.034 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.228 1.976 -2.877 0.00 0.00 -0.022 A ATOM 5 C LIG 1 0.721 2.595 -2.076 0.00 0.00 +0.020 A ATOM 6 N LIG 1 0.546 2.136 -0.784 0.00 0.00 -0.339 N ATOM 7 C LIG 1 1.786 3.567 -2.457 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.396 2.163 -4.346 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.514 1.246 -0.734 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -1.067 0.521 0.338 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -2.152 -0.324 0.083 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.725 -1.538 -0.467 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -4.696 -0.930 0.340 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -3.837 -1.333 -1.499 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -3.983 -1.814 -2.616 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.938 -2.290 -0.686 0.00 0.00 +0.140 C BRANCH 16 19 ATOM 17 C LIG 1 -7.995 -0.292 0.234 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -7.649 -1.508 1.049 0.00 0.00 -0.046 A ATOM 19 C LIG 1 -6.700 -2.455 0.606 0.00 0.00 -0.027 A ATOM 20 C LIG 1 -6.412 -3.567 1.418 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -7.066 -3.755 2.634 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -8.015 -2.832 3.060 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -8.304 -1.717 2.274 0.00 0.00 +0.003 A ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 1.327 2.564 0.378 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 2.702 1.941 0.435 0.00 0.00 -0.028 A ATOM 26 C LIG 1 3.823 2.748 0.675 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.101 2.188 0.761 0.00 0.00 +0.009 A ATOM 28 C LIG 1 5.293 0.807 0.623 0.00 0.00 -0.017 A ATOM 29 C LIG 1 4.169 0.000 0.394 0.00 0.00 +0.009 A ATOM 30 C LIG 1 2.890 0.558 0.307 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 6.640 0.220 0.701 0.00 0.00 -0.004 A ATOM 32 C LIG 1 7.060 -0.621 1.750 0.00 0.00 +0.067 A ATOM 33 C LIG 1 8.329 -1.221 1.730 0.00 0.00 +0.015 A ATOM 34 C LIG 1 9.210 -0.963 0.681 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.823 -0.115 -0.353 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.551 0.467 -0.344 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 6.207 -0.937 2.913 0.00 0.00 +0.337 C ATOM 38 O LIG 1 6.007 -2.047 3.368 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 5.733 0.173 3.504 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 5.207 -0.162 4.259 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 8