REMARK Name = BDB049125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.551 -1.155 0.402 0.00 0.00 -0.326 N ATOM 2 C LIG 1 2.808 -0.544 0.459 0.00 0.00 +0.034 A ATOM 3 C LIG 1 3.733 -0.661 -0.616 0.00 0.00 -0.020 A ATOM 4 C LIG 1 4.986 -0.011 -0.536 0.00 0.00 +0.016 A ATOM 5 C LIG 1 5.352 0.701 0.603 0.00 0.00 +0.004 A ATOM 6 C LIG 1 4.478 0.794 1.676 0.00 0.00 +0.012 A ATOM 7 C LIG 1 3.390 -1.458 -1.881 0.00 0.00 -0.007 C ATOM 8 C LIG 1 3.127 -0.474 -3.042 0.00 0.00 +0.016 C ATOM 9 C LIG 1 4.538 -2.408 -2.295 0.00 0.00 +0.016 C ATOM 10 C LIG 1 2.150 -2.339 -1.640 0.00 0.00 +0.030 C ATOM 11 C LIG 1 3.228 0.175 1.598 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.068 -1.559 -0.920 0.00 0.00 +0.106 C ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 6.695 1.335 0.683 0.00 0.00 +0.117 C ATOM 14 N LIG 1 6.880 2.625 0.743 0.00 0.00 -0.084 NA BRANCH 13 15 ATOM 15 C LIG 1 7.901 0.440 0.692 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.815 -0.913 1.047 0.00 0.00 +0.010 A ATOM 17 C LIG 1 8.958 -1.717 1.042 0.00 0.00 +0.001 A ATOM 18 C LIG 1 10.193 -1.175 0.689 0.00 0.00 +0.000 A ATOM 19 C LIG 1 10.290 0.171 0.343 0.00 0.00 +0.001 A ATOM 20 C LIG 1 9.149 0.977 0.347 0.00 0.00 +0.010 A ENDBRANCH 13 15 BRANCH 14 21 ATOM 21 O LIG 1 5.676 3.341 0.679 0.00 0.00 -0.397 OA ATOM 22 C LIG 1 5.976 4.729 0.724 0.00 0.00 +0.313 C ENDBRANCH 14 21 ENDBRANCH 5 13 BRANCH 1 23 ATOM 23 C LIG 1 0.496 -0.884 1.400 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 C LIG 1 -0.199 0.473 1.197 0.00 0.00 +0.248 C BRANCH 24 25 ATOM 25 O LIG 1 -1.087 0.466 0.074 0.00 0.00 -0.490 OA BRANCH 25 29 ATOM 26 C LIG 1 -5.032 -0.898 0.258 0.00 0.00 -0.044 A ATOM 27 C LIG 1 -4.472 -0.369 -0.909 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -3.148 0.075 -0.917 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -2.360 0.000 0.233 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -2.912 -0.531 1.397 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.239 -0.978 1.409 0.00 0.00 +0.007 A BRANCH 26 32 ATOM 32 C LIG 1 -6.467 -1.362 0.276 0.00 0.00 +0.078 C BRANCH 32 33 ATOM 33 C LIG 1 -7.415 -0.433 1.050 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -7.491 0.946 0.383 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -7.239 1.995 0.966 0.00 0.00 -0.248 OA BRANCH 34 36 ATOM 36 O LIG 1 -7.926 0.854 -0.906 0.00 0.00 -0.463 OA BRANCH 36 38 ATOM 37 C LIG 1 -6.774 2.522 -2.233 0.00 0.00 +0.048 C ATOM 38 C LIG 1 -8.087 2.097 -1.603 0.00 0.00 +0.229 C ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 BRANCH 33 39 ATOM 39 O LIG 1 -8.685 -1.092 1.137 0.00 0.00 -0.365 OA BRANCH 39 40 ATOM 40 C LIG 1 -9.578 -0.448 2.045 0.00 0.00 +0.157 C ATOM 41 C LIG 1 -10.860 -1.255 2.101 0.00 0.00 +0.034 C ENDBRANCH 39 40 ENDBRANCH 33 39 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 14