REMARK Name = BDB039456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.030 -0.918 0.641 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.137 -1.978 0.699 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.380 -3.151 0.908 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.801 -1.419 0.462 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.940 -0.061 0.200 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.824 0.717 -0.063 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.541 0.123 -0.056 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.446 -1.271 0.205 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.577 -2.053 0.468 0.00 0.00 +0.014 A ATOM 10 C LIG 1 4.381 0.323 0.234 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.661 0.944 -0.333 0.00 0.00 +0.074 A ATOM 12 N LIG 1 -0.478 1.938 -1.236 0.00 0.00 -0.229 NA ATOM 13 C LIG 1 -1.582 2.660 -1.487 0.00 0.00 +0.139 A ATOM 14 C LIG 1 -2.846 2.510 -0.928 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.667 3.516 -1.515 0.00 0.00 +0.029 A ATOM 16 C LIG 1 -2.891 4.232 -2.402 0.00 0.00 +0.085 A ATOM 17 C LIG 1 -3.024 1.483 0.019 0.00 0.00 -0.021 A ATOM 18 N LIG 1 -1.629 3.700 -2.374 0.00 0.00 -0.346 N ATOM 19 H LIG 1 -0.834 4.004 -2.917 0.00 0.00 +0.167 HD ATOM 20 C LIG 1 -1.883 0.706 0.306 0.00 0.00 +0.034 A BRANCH 17 21 ATOM 21 C LIG 1 -4.329 1.205 0.731 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -4.753 -0.201 0.640 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -5.157 -0.604 -0.717 0.00 0.00 +0.087 C ATOM 24 C LIG 1 -6.670 -0.603 -0.935 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -7.373 -1.535 0.054 0.00 0.00 +0.117 C ATOM 26 C LIG 1 -6.563 -1.756 1.329 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -5.758 -0.507 1.669 0.00 0.00 +0.087 C BRANCH 25 28 ATOM 28 O LIG 1 -7.621 -2.805 -0.547 0.00 0.00 -0.392 OA ATOM 29 H LIG 1 -8.192 -2.662 -1.320 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 7 11 BRANCH 1 36 ATOM 30 O LIG 1 10.365 -0.161 -0.357 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 9.237 -0.526 -0.038 0.00 0.00 +0.219 C ATOM 32 N LIG 1 8.384 -1.078 -0.959 0.00 0.00 -0.255 N ATOM 33 H LIG 1 8.730 -1.074 -1.910 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 7.013 -1.143 -0.847 0.00 0.00 +0.240 C ATOM 35 O LIG 1 6.313 -1.202 -1.855 0.00 0.00 -0.273 OA ATOM 36 C LIG 1 6.472 -1.125 0.593 0.00 0.00 +0.163 C ATOM 37 C LIG 1 7.238 -0.078 1.397 0.00 0.00 +0.041 C ATOM 38 C LIG 1 8.722 -0.413 1.378 0.00 0.00 +0.098 C ENDBRANCH 1 36 TORSDOF 5