REMARK Name = BDB015830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.886 -0.654 0.615 0.00 0.00 +0.106 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.190 -1.985 0.173 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.569 -0.815 0.517 0.00 0.00 -0.308 N ATOM 4 H LIG 1 1.146 0.025 0.520 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 0.587 -3.053 0.074 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.726 -1.897 -0.025 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 2.950 0.338 -1.216 0.00 0.00 +0.218 C ATOM 8 N LIG 1 3.175 -1.015 -1.111 0.00 0.00 -0.303 N ATOM 9 H LIG 1 3.946 -1.380 -1.658 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 2.169 0.961 -0.499 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 3.740 1.013 -2.325 0.00 0.00 +0.131 C BRANCH 11 14 ATOM 12 C LIG 1 7.535 0.704 -1.996 0.00 0.00 +0.121 A ATOM 13 C LIG 1 6.212 0.476 -2.390 0.00 0.00 +0.049 A ATOM 14 C LIG 1 5.166 1.282 -1.918 0.00 0.00 -0.035 A ATOM 15 C LIG 1 5.463 2.327 -1.035 0.00 0.00 +0.004 A ATOM 16 C LIG 1 6.780 2.558 -0.638 0.00 0.00 +0.004 A ATOM 17 C LIG 1 7.813 1.746 -1.114 0.00 0.00 +0.045 A BRANCH 12 18 ATOM 18 O LIG 1 8.439 -0.174 -2.527 0.00 0.00 -0.492 OA BRANCH 18 20 ATOM 19 C LIG 1 10.360 -0.582 -1.106 0.00 0.00 +0.048 C ATOM 20 C LIG 1 9.832 0.091 -2.361 0.00 0.00 +0.225 C ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 21 ATOM 21 C LIG 1 3.523 -1.770 1.299 0.00 0.00 +0.012 C ATOM 22 C LIG 1 3.574 -0.377 1.925 0.00 0.00 +0.009 C ATOM 23 C LIG 1 4.959 -2.281 1.111 0.00 0.00 +0.009 C ENDBRANCH 6 21 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -1.261 0.842 0.416 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 O LIG 1 -0.720 1.310 -0.834 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.253 1.221 -0.777 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -2.763 1.149 0.394 0.00 0.00 +0.042 C BRANCH 27 28 ATOM 28 C LIG 1 -3.524 0.475 -0.750 0.00 0.00 +0.098 C BRANCH 28 29 ATOM 29 C LIG 1 -4.995 0.844 -0.735 0.00 0.00 +0.213 C ATOM 30 N LIG 1 -5.675 0.385 -1.843 0.00 0.00 -0.315 N ATOM 31 H LIG 1 -5.175 -0.133 -2.554 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 -5.535 1.459 0.179 0.00 0.00 -0.276 OA BRANCH 30 33 ATOM 33 C LIG 1 -7.095 0.625 -2.018 0.00 0.00 +0.109 C BRANCH 33 34 ATOM 34 C LIG 1 -7.951 -0.336 -1.190 0.00 0.00 +0.054 C BRANCH 34 35 ATOM 35 C LIG 1 -9.424 -0.080 -1.385 0.00 0.00 -0.046 A ATOM 36 C LIG 1 -10.069 0.921 -0.647 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -11.427 1.175 -0.837 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -12.152 0.433 -1.766 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -11.520 -0.563 -2.507 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -10.161 -0.818 -2.320 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 1 41 ATOM 41 C LIG 1 -1.458 -1.293 1.903 0.00 0.00 +0.060 C BRANCH 41 42 ATOM 42 C LIG 1 -0.913 -0.741 3.203 0.00 0.00 -0.046 A ATOM 43 C LIG 1 0.264 -1.268 3.752 0.00 0.00 +0.004 A ATOM 44 C LIG 1 0.785 -0.761 4.942 0.00 0.00 +0.000 A ATOM 45 C LIG 1 0.132 0.276 5.603 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -1.046 0.798 5.077 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -1.569 0.290 3.886 0.00 0.00 +0.004 A ENDBRANCH 41 42 ENDBRANCH 1 41 TORSDOF 18