REMARK Name = BDB008183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.912 -0.635 0.008 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.433 -0.801 -0.870 0.00 0.00 +0.237 C ATOM 3 N LIG 1 -0.525 -0.365 0.066 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.855 -0.013 0.960 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.060 -1.271 -1.948 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.941 -0.498 -0.558 0.00 0.00 +0.110 C BRANCH 6 7 ATOM 7 N LIG 1 -3.775 -1.129 -1.608 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -3.914 -0.565 -2.439 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -3.874 -2.484 -1.824 0.00 0.00 +0.211 C ATOM 10 O LIG 1 -3.359 -3.346 -1.122 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 -4.687 -2.850 -3.039 0.00 0.00 +0.109 C ENDBRANCH 6 7 BRANCH 6 13 ATOM 12 C LIG 1 -4.498 1.600 -0.496 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -3.094 1.052 -0.735 0.00 0.00 +0.032 C ENDBRANCH 6 13 BRANCH 6 14 ATOM 14 C LIG 1 -3.373 -0.862 0.891 0.00 0.00 +0.032 C ATOM 15 C LIG 1 -2.956 -2.211 1.465 0.00 0.00 +0.006 C ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 1.537 -0.078 1.307 0.00 0.00 +0.234 C ATOM 17 N LIG 1 2.867 -0.411 1.499 0.00 0.00 -0.300 N ATOM 18 H LIG 1 3.124 -1.297 1.076 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 0.885 0.602 2.100 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 3.535 -0.154 2.787 0.00 0.00 +0.110 C ATOM 21 C LIG 1 3.409 1.320 3.236 0.00 0.00 +0.035 C ATOM 22 C LIG 1 4.804 1.737 3.685 0.00 0.00 +0.003 C ATOM 23 C LIG 1 5.706 0.986 2.728 0.00 0.00 +0.003 C ATOM 24 C LIG 1 5.061 -0.391 2.642 0.00 0.00 +0.035 C BRANCH 20 25 ATOM 25 C LIG 1 2.973 -1.193 3.802 0.00 0.00 +0.234 C ATOM 26 O LIG 1 2.422 -2.236 3.447 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.221 -0.991 5.128 0.00 0.00 -0.328 N ATOM 28 H LIG 1 2.772 -1.653 5.750 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.370 -0.064 5.500 0.00 0.00 +0.145 HD ENDBRANCH 20 25 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 30 ATOM 30 C LIG 1 1.620 -0.080 -1.241 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 1.343 1.408 -1.522 0.00 0.00 +0.023 C BRANCH 31 32 ATOM 32 C LIG 1 0.953 1.678 -2.982 0.00 0.00 +0.115 C BRANCH 32 33 ATOM 33 N LIG 1 -0.357 1.111 -3.253 0.00 0.00 -0.356 N ATOM 34 H LIG 1 -0.435 0.145 -2.923 0.00 0.00 +0.162 HD BRANCH 33 35 ATOM 35 C LIG 1 -1.084 1.324 -4.365 0.00 0.00 +0.188 C ATOM 36 N LIG 1 -1.918 0.463 -4.832 0.00 0.00 -0.269 NA ATOM 37 H LIG 1 -1.866 -0.381 -4.249 0.00 0.00 +0.190 HD BRANCH 35 38 ATOM 38 N LIG 1 -0.939 2.517 -4.966 0.00 0.00 -0.370 N ATOM 39 H LIG 1 -1.642 2.624 -5.691 0.00 0.00 +0.159 HD ATOM 40 H LIG 1 -0.966 3.288 -4.314 0.00 0.00 +0.159 HD ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 14