REMARK Name = BDB043061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.187 -2.512 0.040 0.00 0.00 +0.168 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.077 -3.565 1.145 0.00 0.00 +0.322 C ATOM 3 O LIG 1 2.298 -3.402 2.337 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 1.732 -4.786 0.682 0.00 0.00 -0.480 OA ATOM 5 HXT LIG 1 1.740 -5.352 1.480 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 3.589 -2.404 -0.445 0.00 0.00 -0.300 NA ATOM 7 H LIG 1 3.598 -1.704 -1.199 0.00 0.00 +0.123 HD BRANCH 6 8 ATOM 8 C LIG 1 4.540 -1.938 0.565 0.00 0.00 +0.117 C BRANCH 8 9 ATOM 9 C LIG 1 5.915 -1.765 -0.046 0.00 0.00 -0.023 A ATOM 10 C LIG 1 6.276 -0.615 -0.774 0.00 0.00 +0.027 A ATOM 11 C LIG 1 7.553 -0.499 -1.343 0.00 0.00 +0.012 A ATOM 12 C LIG 1 8.485 -1.523 -1.178 0.00 0.00 +0.001 A ATOM 13 C LIG 1 8.141 -2.666 -0.461 0.00 0.00 +0.000 A ATOM 14 C LIG 1 6.865 -2.791 0.095 0.00 0.00 +0.005 A BRANCH 10 15 ATOM 15 C LIG 1 5.300 0.477 -1.003 0.00 0.00 +0.193 C ATOM 16 O LIG 1 4.228 0.210 -1.540 0.00 0.00 -0.287 OA BRANCH 15 17 ATOM 17 C LIG 1 5.608 1.875 -0.592 0.00 0.00 +0.022 A ATOM 18 C LIG 1 6.571 2.168 0.383 0.00 0.00 +0.012 A ATOM 19 C LIG 1 6.816 3.495 0.744 0.00 0.00 +0.001 A ATOM 20 C LIG 1 6.100 4.529 0.142 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.131 4.241 -0.818 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.881 2.917 -1.182 0.00 0.00 +0.012 A ENDBRANCH 15 17 ENDBRANCH 10 15 ENDBRANCH 8 9 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 1.574 -1.173 0.500 0.00 0.00 +0.065 C BRANCH 23 27 ATOM 24 C LIG 1 -2.738 -1.379 0.820 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -2.135 -1.148 -0.415 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -0.741 -1.076 -0.515 0.00 0.00 +0.007 A ATOM 27 C LIG 1 0.067 -1.231 0.619 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.544 -1.462 1.856 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.935 -1.534 1.952 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 -4.081 -1.475 1.056 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 -4.953 -1.335 -0.071 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 -6.409 -1.482 0.398 0.00 0.00 +0.150 C BRANCH 32 34 ATOM 33 C LIG 1 -6.460 -0.058 2.448 0.00 0.00 +0.134 C ATOM 34 N LIG 1 -6.915 -0.287 1.084 0.00 0.00 -0.285 N BRANCH 34 35 ATOM 35 C LIG 1 -7.247 0.811 0.363 0.00 0.00 +0.291 A ATOM 36 O LIG 1 -7.421 0.650 -0.989 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 -7.747 1.895 -1.435 0.00 0.00 +0.157 A ATOM 38 C LIG 1 -7.752 2.745 -0.344 0.00 0.00 +0.111 A ATOM 39 C LIG 1 -8.059 4.098 -0.539 0.00 0.00 +0.031 A ATOM 40 C LIG 1 -8.350 4.528 -1.843 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -8.333 3.633 -2.922 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -8.027 2.279 -2.741 0.00 0.00 +0.048 A ATOM 43 N LIG 1 -7.433 2.045 0.789 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 14