REMARK Name = BDB007258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.353 -2.716 -0.024 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -7.149 -1.616 0.814 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.922 -0.952 0.842 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.880 -1.334 -0.021 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.594 -0.534 -0.058 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.455 -1.186 -0.755 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -2.647 -2.186 -1.703 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -3.997 -2.863 -1.800 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.764 -2.624 -2.450 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.079 -2.416 -0.873 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.309 -3.107 -0.867 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.853 0.873 -0.617 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.771 1.990 0.232 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -4.004 3.276 -0.260 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.324 3.456 -1.603 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.611 5.040 -2.207 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.411 2.363 -2.459 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.179 1.076 -1.969 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.170 -0.525 -0.625 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.760 0.018 0.600 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.453 0.712 0.719 0.00 0.00 +0.025 A ATOM 22 C LIG 1 1.302 0.892 -0.377 0.00 0.00 +0.030 A ATOM 23 C LIG 1 0.902 0.342 -1.596 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -0.309 -0.355 -1.716 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 2.494 1.630 -0.203 0.00 0.00 -0.333 N ATOM 26 C LIG 1 2.195 3.070 -0.202 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 3.617 1.220 -1.066 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 4.987 1.592 -0.456 0.00 0.00 +0.006 C ATOM 29 C LIG 1 6.094 1.274 -1.483 0.00 0.00 +0.006 C ATOM 30 C LIG 1 7.449 1.111 -0.805 0.00 0.00 +0.019 C ATOM 31 C LIG 1 7.480 -0.105 0.156 0.00 0.00 +0.059 C ATOM 32 C LIG 1 6.072 -0.374 0.742 0.00 0.00 +0.019 C ATOM 33 C LIG 1 5.246 0.899 0.900 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 8.515 0.104 1.182 0.00 0.00 -0.275 NA ATOM 35 C LIG 1 9.858 0.275 0.630 0.00 0.00 +0.195 C ATOM 36 N LIG 1 10.720 -0.064 1.715 0.00 0.00 -0.290 N ATOM 37 C LIG 1 12.152 0.032 1.600 0.00 0.00 +0.133 C ATOM 38 C LIG 1 10.099 -0.959 2.566 0.00 0.00 +0.230 C ATOM 39 O LIG 1 10.620 -1.625 3.442 0.00 0.00 -0.274 OA ATOM 40 C LIG 1 8.643 -1.003 2.149 0.00 0.00 +0.182 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 42 ATOM 41 C LIG 1 -8.733 -4.559 -0.629 0.00 0.00 +0.277 C ATOM 42 O LIG 1 -8.584 -3.310 0.030 0.00 0.00 -0.491 OA ENDBRANCH 1 42 BRANCH 2 43 ATOM 43 O LIG 1 -8.142 -1.186 1.660 0.00 0.00 -0.486 OA BRANCH 43 44 ATOM 44 C LIG 1 -8.895 -0.114 1.069 0.00 0.00 +0.167 C ATOM 45 C LIG 1 -8.748 1.117 1.955 0.00 0.00 +0.051 C ATOM 46 C LIG 1 -10.353 -0.542 0.987 0.00 0.00 +0.051 C ENDBRANCH 43 44 ENDBRANCH 2 43 TORSDOF 9