REMARK Name = BDB045926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.509 0.823 -0.226 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.519 0.241 0.572 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -0.779 0.766 0.566 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.105 1.869 -0.236 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -0.115 2.433 -1.041 0.00 0.00 +0.024 A ATOM 6 C LIG 1 1.184 1.910 -1.042 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.382 -0.135 0.969 0.00 0.00 -0.281 N ATOM 8 H LIG 1 2.815 0.073 1.781 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 2.902 0.295 -0.255 0.00 0.00 +0.248 C ATOM 10 O LIG 1 3.511 0.320 -1.317 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 6.768 -1.706 0.574 0.00 0.00 -0.045 A ATOM 12 C LIG 1 5.534 -1.121 0.241 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.634 -0.729 1.234 0.00 0.00 +0.034 A ATOM 14 C LIG 1 4.970 -0.944 2.575 0.00 0.00 +0.023 A ATOM 15 C LIG 1 6.192 -1.524 2.918 0.00 0.00 +0.002 A ATOM 16 C LIG 1 7.090 -1.901 1.922 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 7.742 -2.107 -0.510 0.00 0.00 +0.049 C BRANCH 17 19 ATOM 18 C LIG 1 8.230 0.168 -1.556 0.00 0.00 +0.019 C ATOM 19 C LIG 1 8.801 -1.027 -0.795 0.00 0.00 +0.099 C BRANCH 19 20 ATOM 20 C LIG 1 9.935 -1.631 -1.603 0.00 0.00 +0.308 C ATOM 21 O LIG 1 9.863 -2.659 -2.258 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 O LIG 1 11.078 -0.906 -1.534 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 11.003 -0.100 -0.990 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 4 24 ATOM 24 N LIG 1 -2.435 2.331 -0.176 0.00 0.00 -0.285 N ATOM 25 H LIG 1 -3.057 1.807 0.429 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -3.008 3.367 -0.895 0.00 0.00 +0.222 C ATOM 27 O LIG 1 -2.426 4.096 -1.695 0.00 0.00 -0.275 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.476 3.621 -0.566 0.00 0.00 +0.131 C BRANCH 28 29 ATOM 29 C LIG 1 -5.310 2.380 -0.349 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -5.887 2.115 0.896 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.640 0.953 1.101 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.842 0.021 0.071 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -6.261 0.308 -1.179 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.510 1.469 -1.389 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -7.665 -1.266 0.261 0.00 0.00 -0.013 C ATOM 36 C LIG 1 -6.779 -2.497 -0.033 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -8.228 -1.441 1.690 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -8.867 -1.262 -0.707 0.00 0.00 +0.015 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 24 TORSDOF 10