REMARK Name = BDB038731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.472 -1.574 -0.438 0.00 0.00 +0.129 A ATOM 2 N LIG 1 2.081 -2.708 -0.019 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 3.436 -2.795 -0.012 0.00 0.00 +0.047 A ATOM 4 C LIG 1 4.206 -1.718 -0.443 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.599 -0.532 -0.868 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.203 -0.477 -0.869 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.541 -1.071 -0.431 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -3.358 -0.362 -0.693 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.155 -1.019 -0.514 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -0.789 -0.517 -0.710 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.067 -1.566 -0.400 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.651 -2.761 0.013 0.00 0.00 +0.151 C ATOM 13 O LIG 1 -0.548 0.622 -1.068 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -2.080 -2.342 -0.089 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.233 -3.061 0.171 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.466 -2.419 -0.004 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 -5.887 -0.401 -0.622 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 -6.164 0.468 1.621 0.00 0.00 +0.105 C ATOM 19 N LIG 1 -6.052 0.817 0.199 0.00 0.00 -0.301 NA BRANCH 19 20 ATOM 20 C LIG 1 -7.232 1.575 -0.262 0.00 0.00 +0.092 C BRANCH 20 21 ATOM 21 C LIG 1 -7.239 2.999 0.278 0.00 0.00 +0.054 C ATOM 22 C LIG 1 -6.162 3.948 -0.260 0.00 0.00 +0.166 C ATOM 23 O LIG 1 -7.162 4.926 -0.642 0.00 0.00 -0.379 OA ATOM 24 C LIG 1 -8.215 3.959 -0.414 0.00 0.00 +0.166 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 4.406 0.630 -1.292 0.00 0.00 -0.007 A ATOM 26 C LIG 1 5.359 1.252 -0.449 0.00 0.00 +0.028 A ATOM 27 C LIG 1 6.139 2.318 -0.934 0.00 0.00 +0.031 A ATOM 28 C LIG 1 5.964 2.798 -2.234 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.010 2.208 -3.063 0.00 0.00 +0.019 A ATOM 30 C LIG 1 4.244 1.136 -2.597 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 5.592 0.817 0.927 0.00 0.00 +0.164 A ATOM 32 N LIG 1 4.716 0.930 1.979 0.00 0.00 -0.317 N ATOM 33 C LIG 1 3.412 1.538 1.998 0.00 0.00 +0.152 C ATOM 34 C LIG 1 5.336 0.371 3.054 0.00 0.00 +0.225 A ATOM 35 N LIG 1 6.530 -0.044 2.706 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 6.698 0.250 1.373 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 6.758 3.891 -2.712 0.00 0.00 +0.099 C ATOM 38 N LIG 1 7.393 4.781 -3.102 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 4.032 -4.093 0.497 0.00 0.00 +0.038 C ATOM 40 C LIG 1 5.338 -4.643 -0.025 0.00 0.00 +0.010 C ATOM 41 C LIG 1 5.264 -4.097 1.373 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9