REMARK Name = BDB039125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.524 1.061 -0.923 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.566 0.077 -0.755 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.216 0.412 -0.309 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.227 -0.724 -0.382 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.605 -2.018 -0.807 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.662 -3.051 -0.882 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.327 -2.850 -0.517 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.965 -1.570 -0.081 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.231 -1.012 0.342 0.00 0.00 -0.320 N ATOM 10 C LIG 1 0.020 0.307 0.683 0.00 0.00 +0.142 A ATOM 11 N LIG 1 1.280 0.614 0.450 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 5.028 -2.273 -1.240 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.881 -0.528 -0.009 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.998 -1.300 -0.578 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.715 0.836 -1.107 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.946 1.270 1.202 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.503 2.228 0.338 0.00 0.00 +0.058 A ATOM 18 C LIG 1 -2.422 3.175 0.809 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -2.774 3.150 2.169 0.00 0.00 +0.100 A ATOM 20 C LIG 1 -2.178 2.231 3.045 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -1.263 1.297 2.562 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 O LIG 1 -2.979 4.158 0.035 0.00 0.00 -0.494 OA ATOM 23 C LIG 1 -2.649 4.183 -1.347 0.00 0.00 +0.277 C ENDBRANCH 18 22 BRANCH 19 24 ATOM 24 C LIG 1 -3.744 4.093 2.761 0.00 0.00 +0.340 C ATOM 25 O LIG 1 -3.616 4.661 3.830 0.00 0.00 -0.245 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.880 4.177 2.046 0.00 0.00 -0.477 OA ATOM 27 H LIG 1 -5.429 4.815 2.544 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 10 16 BRANCH 1 29 ATOM 28 C LIG 1 6.954 3.362 -1.032 0.00 0.00 +0.282 C ATOM 29 O LIG 1 5.998 2.316 -0.862 0.00 0.00 -0.454 OA ENDBRANCH 1 29 BRANCH 9 30 ATOM 30 C LIG 1 -1.509 -1.733 0.368 0.00 0.00 +0.091 C ATOM 31 C LIG 1 -1.931 -2.094 1.795 0.00 0.00 +0.031 C BRANCH 30 32 ATOM 32 C LIG 1 -2.619 -1.023 -0.434 0.00 0.00 +0.060 C BRANCH 32 33 ATOM 33 C LIG 1 -3.731 -1.957 -0.856 0.00 0.00 -0.045 A ATOM 34 C LIG 1 -3.559 -2.814 -1.952 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.579 -3.686 -2.334 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.779 -3.710 -1.625 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.961 -2.861 -0.536 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.942 -1.987 -0.152 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 9 30 TORSDOF 8