REMARK Name = BDB047408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.149 -0.312 -0.683 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.051 -0.554 -2.050 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.199 -0.654 -2.675 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.393 -0.516 -1.953 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.274 -0.284 -0.573 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.021 -0.178 0.055 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.676 -0.648 -2.596 0.00 0.00 -0.264 N ATOM 8 C LIG 1 -3.892 -0.834 -1.774 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -4.916 -1.802 -2.434 0.00 0.00 +0.106 C ATOM 10 N LIG 1 -4.751 -2.026 -3.875 0.00 0.00 -0.306 NA ATOM 11 H LIG 1 -4.061 -2.769 -4.011 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -4.231 -0.815 -4.526 0.00 0.00 +0.178 C ATOM 13 C LIG 1 -2.849 -0.433 -3.978 0.00 0.00 +0.234 C ATOM 14 O LIG 1 -2.014 0.059 -4.736 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 -4.554 0.519 -1.435 0.00 0.00 +0.184 C BRANCH 15 16 ATOM 16 O LIG 1 -5.491 0.323 -0.376 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 -6.164 1.531 -0.030 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C LIG 1 -7.114 1.229 1.096 0.00 0.00 -0.022 A ATOM 19 C LIG 1 -8.377 0.679 0.828 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -9.271 0.383 1.866 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -10.605 -0.232 1.563 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -8.876 0.610 3.188 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -7.618 1.144 3.467 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -6.740 1.451 2.428 0.00 0.00 +0.006 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 O LIG 1 2.424 -0.241 -0.199 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 2.579 0.132 1.170 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 4.067 0.195 1.497 0.00 0.00 +0.069 C BRANCH 27 28 ATOM 28 C LIG 1 4.806 1.209 0.627 0.00 0.00 +0.163 C BRANCH 28 29 ATOM 29 O LIG 1 6.132 1.443 1.103 0.00 0.00 -0.375 OA BRANCH 29 30 ATOM 30 C LIG 1 7.035 0.371 0.814 0.00 0.00 +0.198 C BRANCH 30 32 ATOM 31 C LIG 1 9.476 -0.239 1.071 0.00 0.00 +0.125 A ATOM 32 C LIG 1 8.470 0.747 1.127 0.00 0.00 +0.020 A ATOM 33 C LIG 1 8.828 2.069 1.442 0.00 0.00 +0.009 A ATOM 34 C LIG 1 10.154 2.405 1.712 0.00 0.00 +0.001 A ATOM 35 C LIG 1 11.140 1.426 1.664 0.00 0.00 +0.004 A ATOM 36 C LIG 1 10.805 0.109 1.341 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 37 C LIG 1 10.033 -2.534 0.724 0.00 0.00 +0.277 C ATOM 38 O LIG 1 9.055 -1.501 0.734 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 13