REMARK Name = BDB027166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.559 1.040 1.647 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.439 2.517 2.004 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.754 2.942 3.306 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.662 4.289 3.659 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.263 5.231 2.714 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.960 4.828 1.415 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.051 3.481 1.060 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.518 0.551 0.596 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.819 0.360 -0.585 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.453 -1.123 -0.705 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.347 -0.655 0.615 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.099 -0.196 1.063 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.960 -0.186 0.258 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.875 0.345 1.038 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.403 0.634 2.286 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.082 -0.664 -1.063 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.733 0.309 2.286 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.363 0.424 3.069 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.322 -1.126 -1.528 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.277 -2.242 -3.674 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.417 -2.086 -2.526 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.844 -2.497 -1.319 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.819 -2.207 -0.513 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.734 -1.607 -1.195 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.165 -1.542 -2.505 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.956 0.632 1.334 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.526 0.783 2.165 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.580 1.327 0.203 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.005 0.802 -0.059 0.00 0.00 +0.052 C BRANCH 29 30 ATOM 30 C LIG 1 -5.173 -0.633 -0.493 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -4.128 -1.465 -0.879 0.00 0.00 +0.116 A ATOM 32 N LIG 1 -4.282 -2.749 -1.290 0.00 0.00 -0.240 NA ATOM 33 C LIG 1 -5.528 -3.241 -1.328 0.00 0.00 +0.116 A ATOM 34 C LIG 1 -6.639 -2.499 -0.965 0.00 0.00 +0.043 A ATOM 35 C LIG 1 -6.459 -1.182 -0.549 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 N LIG 1 -5.661 -4.566 -1.738 0.00 0.00 -0.343 N ATOM 37 H LIG 1 -6.298 -4.642 -2.521 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -4.724 -4.878 -1.985 0.00 0.00 +0.144 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9