REMARK Name = BDB063036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.796 -2.741 -1.884 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.207 -2.487 -0.812 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.058 -1.977 0.497 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.160 -1.895 1.176 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.240 -1.435 2.502 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.059 -1.047 3.143 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.168 -1.106 2.483 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.141 -2.337 0.303 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.239 -1.583 1.166 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.573 -2.708 -0.902 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.371 -3.227 -2.051 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.387 -0.673 3.221 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.407 -0.153 2.456 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.243 0.054 1.481 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.433 -0.760 4.443 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.628 0.362 3.051 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.407 1.743 3.676 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.732 0.352 2.008 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.797 1.313 0.980 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.799 1.301 -0.011 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.745 0.265 0.062 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.694 -0.708 1.063 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.691 -0.667 2.027 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -6.809 2.375 -1.085 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -8.101 2.896 -1.665 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.191 2.049 -2.509 0.00 0.00 +0.009 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.562 -2.448 0.638 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.408 -1.371 0.002 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.091 -0.015 0.134 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.902 0.967 -0.444 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.062 0.630 -1.165 0.00 0.00 -0.031 A ATOM 32 C LIG 1 6.383 -0.731 -1.274 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.571 -1.715 -0.698 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.928 1.743 -1.781 0.00 0.00 +0.087 C ATOM 35 C LIG 1 8.088 1.239 -2.667 0.00 0.00 +0.027 C ATOM 36 C LIG 1 7.561 2.569 -0.640 0.00 0.00 +0.027 C BRANCH 34 37 ATOM 37 C LIG 1 6.066 2.672 -2.647 0.00 0.00 +0.315 C ATOM 38 O LIG 1 5.725 3.815 -2.379 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 5.642 2.106 -3.797 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 5.071 2.791 -4.203 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9