REMARK Name = BDB010451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.876 -3.395 2.149 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.381 -3.433 1.702 0.00 0.00 -0.203 NA ATOM 3 C LIG 1 -0.641 -2.469 0.807 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.831 -2.326 0.163 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.698 -1.271 -0.604 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.441 -0.707 -0.456 0.00 0.00 -0.307 N ATOM 7 C LIG 1 0.284 -1.529 0.382 0.00 0.00 +0.129 A ATOM 8 C LIG 1 1.598 -1.603 0.837 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.858 -2.550 1.760 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.583 -0.824 -1.535 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.572 0.220 -1.133 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -4.242 0.771 -2.428 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.821 -0.252 -3.262 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -3.854 -1.261 -3.589 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.224 -1.889 -2.337 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -4.554 -0.223 -0.045 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -5.858 -0.668 -0.321 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.725 -1.048 0.707 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.307 -0.996 2.033 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.019 -0.565 2.331 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.154 -0.181 1.304 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 23 ATOM 22 C LIG 1 2.674 -4.359 3.690 0.00 0.00 +0.095 C ATOM 23 C LIG 1 1.256 -4.412 3.180 0.00 0.00 +0.197 C ATOM 24 O LIG 1 0.466 -5.255 3.601 0.00 0.00 -0.289 OA ENDBRANCH 1 23 BRANCH 8 25 ATOM 25 N LIG 1 2.613 -0.773 0.371 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.523 -0.622 -0.626 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.988 -1.054 0.797 0.00 0.00 +0.072 C ATOM 28 C LIG 1 4.237 -0.434 2.175 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.963 -0.425 -0.206 0.00 0.00 +0.009 C ATOM 30 C LIG 1 6.462 -0.817 -0.079 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.529 -0.777 -1.619 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.016 -1.072 -1.620 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 6 33 ATOM 33 C LIG 1 0.053 0.460 -1.167 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 0.488 1.655 -0.288 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.672 2.312 0.483 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.288 3.477 -0.284 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -0.268 4.600 -0.544 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -0.393 5.720 0.490 0.00 0.00 +0.007 C ATOM 39 C LIG 1 1.181 4.081 -0.589 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.244 2.673 -1.168 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8