REMARK Name = BDB024113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.816 -2.119 -0.056 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.375 -3.384 0.685 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.634 -3.596 2.049 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.210 -4.765 2.686 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.530 -5.746 1.968 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.281 -5.564 0.611 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.705 -4.397 -0.027 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.469 -1.203 0.004 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.440 -1.632 0.922 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.629 -1.448 -0.814 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.733 -1.137 -1.998 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.114 0.795 -0.832 0.00 0.00 +0.017 A ATOM 13 C LIG 1 3.889 0.143 0.386 0.00 0.00 +0.013 A ATOM 14 C LIG 1 2.674 -0.512 0.633 0.00 0.00 +0.024 A ATOM 15 C LIG 1 1.660 -0.532 -0.331 0.00 0.00 +0.033 A ATOM 16 C LIG 1 1.875 0.120 -1.543 0.00 0.00 +0.024 A ATOM 17 C LIG 1 3.089 0.778 -1.787 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 8.887 2.219 -0.497 0.00 0.00 +0.065 C ATOM 19 C LIG 1 7.501 2.141 -1.000 0.00 0.00 +0.033 A ATOM 20 N LIG 1 6.542 1.337 -0.437 0.00 0.00 -0.342 N ATOM 21 H LIG 1 6.677 0.716 0.346 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 5.366 1.496 -1.137 0.00 0.00 +0.138 A ATOM 23 N LIG 1 5.553 2.355 -2.124 0.00 0.00 -0.236 NA ATOM 24 C LIG 1 6.858 2.762 -2.045 0.00 0.00 +0.134 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.435 -1.108 0.844 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -1.692 -0.592 1.314 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.269 -0.163 0.088 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.891 0.871 1.037 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.769 1.853 0.299 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.147 1.626 0.187 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.958 2.525 -0.511 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.397 3.658 -1.108 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.022 3.887 -1.005 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.212 2.987 -0.306 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.229 4.581 -1.823 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.904 5.329 -2.399 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9