REMARK Name = BDB049376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.035 -0.801 -0.608 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.927 0.166 -0.816 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.164 -0.437 -0.771 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.880 -1.776 -0.531 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.928 -2.702 -0.422 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.249 -2.250 -0.557 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.508 -0.894 -0.802 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.471 0.043 -0.912 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.528 -1.980 -0.433 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.341 -3.195 -0.459 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.372 -3.121 0.452 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.735 -2.194 1.541 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.211 -4.175 0.263 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.739 -4.968 -0.765 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.615 -4.380 -1.193 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -4.843 -4.978 -2.307 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.505 -0.518 -0.589 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 2.330 -1.744 -0.188 0.00 0.00 +0.043 C BRANCH 18 22 ATOM 19 C LIG 1 6.541 -0.759 -0.077 0.00 0.00 +0.161 A ATOM 20 C LIG 1 5.758 -0.639 1.089 0.00 0.00 +0.162 A ATOM 21 C LIG 1 4.397 -0.966 1.046 0.00 0.00 +0.053 A ATOM 22 C LIG 1 3.805 -1.421 -0.142 0.00 0.00 -0.043 A ATOM 23 C LIG 1 4.591 -1.539 -1.292 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.949 -1.211 -1.260 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 8.693 -0.563 -1.097 0.00 0.00 +0.277 C ATOM 26 O LIG 1 7.864 -0.412 0.046 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 6.410 -0.184 2.209 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 5.698 -0.208 3.438 0.00 0.00 +0.277 C ENDBRANCH 20 27 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 29 ATOM 29 C LIG 1 -0.693 1.584 -1.039 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 -0.757 2.381 0.272 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 N LIG 1 -0.463 3.809 0.073 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 -1.577 4.558 -0.552 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -2.383 5.415 0.439 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -1.583 6.384 1.127 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -0.221 5.970 1.302 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -0.069 4.443 1.353 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9