REMARK Name = BDB052352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.011 -1.748 4.784 0.00 0.00 -0.271 N ATOM 2 N LIG 1 1.266 -1.349 4.521 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 1.407 -1.512 3.192 0.00 0.00 +0.100 A ATOM 4 C LIG 1 0.208 -2.046 2.628 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.667 -2.178 3.683 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.101 -2.500 1.294 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.987 -1.766 0.485 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.202 -2.253 -0.797 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -2.065 -1.407 -1.431 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -2.348 -1.522 -2.392 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.405 -0.353 -0.610 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -0.665 -3.349 -1.362 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 0.187 -4.005 -0.542 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.752 -0.569 0.594 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.501 -3.641 0.759 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -3.256 0.746 -1.059 0.00 0.00 -0.001 A ATOM 17 C LIG 1 -4.378 0.500 -1.861 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -5.175 1.552 -2.349 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -4.824 2.867 -2.019 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -3.724 3.122 -1.199 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.947 2.067 -0.719 0.00 0.00 +0.010 A BRANCH 18 22 ATOM 22 C LIG 1 -6.381 1.241 -3.211 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -7.694 1.361 -2.585 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -7.821 0.902 -1.209 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -9.235 1.343 -0.881 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -9.354 2.698 -1.558 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -8.329 2.671 -2.686 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 28 ATOM 28 C LIG 1 2.674 -1.197 2.525 0.00 0.00 +0.003 A ATOM 29 C LIG 1 2.706 -0.685 1.222 0.00 0.00 +0.012 A ATOM 30 C LIG 1 3.925 -0.428 0.579 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.136 -0.671 1.230 0.00 0.00 +0.035 A ATOM 32 C LIG 1 5.108 -1.165 2.542 0.00 0.00 +0.024 A ATOM 33 C LIG 1 3.889 -1.419 3.183 0.00 0.00 +0.012 A BRANCH 31 34 ATOM 34 N LIG 1 6.404 -0.474 0.644 0.00 0.00 -0.269 N ATOM 35 H LIG 1 7.195 -0.686 1.232 0.00 0.00 +0.156 HD ATOM 36 C LIG 1 6.689 0.044 -0.612 0.00 0.00 +0.308 C ATOM 37 N LIG 1 8.056 -0.017 -0.854 0.00 0.00 -0.269 N ATOM 38 H LIG 1 8.592 -0.596 -0.226 0.00 0.00 +0.156 HD ATOM 39 O LIG 1 5.859 0.482 -1.395 0.00 0.00 -0.252 OA BRANCH 37 40 ATOM 40 C LIG 1 8.756 0.471 -1.978 0.00 0.00 +0.035 A ATOM 41 C LIG 1 10.123 0.174 -2.054 0.00 0.00 +0.023 A ATOM 42 C LIG 1 10.891 0.622 -3.132 0.00 0.00 +0.002 A ATOM 43 C LIG 1 10.301 1.371 -4.145 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.946 1.675 -4.077 0.00 0.00 +0.002 A ATOM 45 C LIG 1 8.177 1.230 -2.995 0.00 0.00 +0.023 A ENDBRANCH 37 40 ENDBRANCH 31 34 ENDBRANCH 3 28 BRANCH 1 47 ATOM 46 C LIG 1 -1.151 -0.488 6.555 0.00 0.00 +0.029 C ATOM 47 C LIG 1 -0.469 -1.780 6.153 0.00 0.00 +0.140 C ENDBRANCH 1 47 TORSDOF 8