REMARK Name = BDB001157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.884 1.432 1.690 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.780 1.969 2.315 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.616 1.524 2.222 0.00 0.00 +0.099 C ATOM 4 C LIG 1 -1.401 2.525 3.099 0.00 0.00 +0.013 C ATOM 5 C LIG 1 -2.196 3.395 2.125 0.00 0.00 +0.007 C ATOM 6 C LIG 1 -2.538 2.429 1.007 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.340 3.293 3.881 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -1.232 1.659 0.802 0.00 0.00 +0.094 C ATOM 9 C LIG 1 0.870 3.265 2.963 0.00 0.00 +0.108 C ATOM 10 O LIG 1 2.922 2.092 1.553 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -1.479 0.387 0.147 0.00 0.00 -0.310 N ATOM 12 H LIG 1 -1.778 -0.411 0.695 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -1.570 0.296 -1.233 0.00 0.00 +0.224 C ATOM 14 O LIG 1 -1.361 1.257 -1.968 0.00 0.00 -0.275 OA BRANCH 13 15 ATOM 15 C LIG 1 -1.974 -1.083 -1.724 0.00 0.00 +0.146 C ATOM 16 C LIG 1 -3.450 -1.292 -1.799 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.765 -1.864 -3.022 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -5.055 -2.224 -3.354 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -6.063 -1.989 -2.418 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.756 -1.414 -1.175 0.00 0.00 +0.001 A ATOM 21 O LIG 1 -2.688 -2.052 -3.845 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -4.440 -1.068 -0.854 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -1.622 -1.308 -3.200 0.00 0.00 +0.246 C ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 1.838 -0.041 1.214 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 2.110 -0.672 -1.188 0.00 0.00 +0.230 C ATOM 26 N LIG 1 2.571 -0.048 -0.053 0.00 0.00 -0.302 N ATOM 27 H LIG 1 3.340 0.614 -0.123 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 1.093 -1.366 -1.204 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 2.975 -0.418 -2.441 0.00 0.00 +0.137 C ATOM 30 C LIG 1 2.568 0.920 -3.054 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 3.422 -2.736 -3.028 0.00 0.00 +0.101 C ATOM 32 N LIG 1 2.792 -1.488 -3.444 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 1.787 -1.650 -3.545 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 2.441 -1.043 2.253 0.00 0.00 -0.011 C ATOM 35 C LIG 1 3.904 -0.712 2.608 0.00 0.00 +0.013 C ATOM 36 C LIG 1 2.399 -2.479 1.685 0.00 0.00 +0.013 C ATOM 37 C LIG 1 1.614 -1.039 3.554 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7