REMARK Name = BDB024338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 -1.438 1.425 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.910 -2.865 1.620 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.731 -3.687 0.492 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.278 -5.001 0.625 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.010 -5.520 1.889 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.207 -4.730 3.019 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.661 -3.415 2.888 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.994 -0.483 2.575 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.121 0.291 2.520 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.154 0.982 3.260 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.720 -0.353 3.573 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.225 0.390 1.681 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.944 1.508 1.911 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.052 1.722 1.159 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.506 0.855 0.176 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.764 -0.308 -0.023 0.00 0.00 +0.013 A ATOM 17 C LIG 1 1.616 -0.546 0.739 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.726 1.139 -0.594 0.00 0.00 -0.010 A ATOM 19 C LIG 1 4.609 1.367 -1.913 0.00 0.00 +0.078 A ATOM 20 C LIG 1 5.804 1.666 -2.749 0.00 0.00 +0.252 A ATOM 21 O LIG 1 5.651 1.861 -3.952 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 7.024 1.700 -2.080 0.00 0.00 -0.318 N ATOM 23 C LIG 1 8.239 1.984 -2.827 0.00 0.00 +0.152 C ATOM 24 C LIG 1 7.124 1.459 -0.722 0.00 0.00 +0.089 A ATOM 25 C LIG 1 6.042 1.187 0.016 0.00 0.00 +0.026 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.895 -1.469 1.313 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -3.235 -1.628 2.268 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.461 -0.200 0.832 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -2.919 -0.614 -1.645 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.006 -0.299 -0.613 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.757 0.974 -0.988 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.097 2.204 -1.135 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.808 3.359 -1.473 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.190 3.301 -1.667 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.858 2.083 -1.520 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.147 0.928 -1.182 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.919 4.485 -2.014 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.509 5.445 -2.296 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9