REMARK Name = BDB058707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.935 -0.415 1.133 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.043 -1.408 0.776 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.624 -2.336 1.722 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.606 -3.066 1.060 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -5.379 -4.056 1.681 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -5.137 -4.307 3.033 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.166 -3.602 3.733 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -6.062 -5.513 3.843 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -4.626 -2.620 -0.232 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -5.242 -2.963 -0.959 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -3.406 -2.616 3.090 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -3.723 -1.599 -0.432 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -3.623 -0.935 -1.704 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -2.904 -0.009 -2.030 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -4.486 -1.473 -2.594 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -4.319 -0.939 -3.401 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -3.506 1.494 0.964 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -4.148 0.831 1.383 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.214 1.056 0.704 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -1.337 1.797 0.263 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.246 3.903 1.487 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -4.013 2.844 0.681 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -3.932 3.159 -0.821 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -5.494 2.892 1.103 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.620 -0.966 0.767 0.00 0.00 -0.284 N ATOM 26 C LIG 1 0.067 -1.714 1.704 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.254 -1.871 2.876 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.197 -0.976 -0.630 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 1.279 -0.704 -0.828 0.00 0.00 -0.030 A ATOM 30 C LIG 1 1.842 0.510 -0.411 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.205 0.767 -0.589 0.00 0.00 +0.046 A ATOM 32 C LIG 1 4.025 -0.185 -1.193 0.00 0.00 +0.121 A ATOM 33 C LIG 1 3.466 -1.393 -1.618 0.00 0.00 +0.046 A ATOM 34 C LIG 1 2.105 -1.653 -1.442 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 5.367 -0.067 -1.425 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 5.995 1.145 -1.014 0.00 0.00 +0.267 C BRANCH 36 37 ATOM 37 C LIG 1 7.465 1.035 -1.340 0.00 0.00 +0.026 A ATOM 38 C LIG 1 7.966 1.433 -2.594 0.00 0.00 +0.049 A ATOM 39 CL LIG 1 6.946 2.087 -3.829 0.00 0.00 -0.083 Cl ATOM 40 C LIG 1 9.327 1.312 -2.902 0.00 0.00 +0.020 A ATOM 41 C LIG 1 10.214 0.779 -1.972 0.00 0.00 +0.003 A ATOM 42 C LIG 1 9.736 0.358 -0.736 0.00 0.00 +0.020 A ATOM 43 C LIG 1 8.377 0.479 -0.423 0.00 0.00 +0.049 A ATOM 44 CL LIG 1 7.883 -0.095 1.133 0.00 0.00 -0.083 Cl ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11