REMARK Name = BDB037356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.519 -2.894 0.139 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.661 -2.270 0.584 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.716 -0.998 1.120 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.996 -0.885 1.705 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.715 -1.998 1.503 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.445 -0.075 1.130 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.738 -0.905 1.181 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.982 -2.723 0.610 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.726 -2.184 0.302 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.802 -2.603 -0.146 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.246 0.840 -0.074 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.430 0.420 -1.405 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.227 1.305 -2.467 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.161 2.613 -2.211 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.356 3.457 -3.233 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.347 3.057 -0.911 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.142 2.176 0.152 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.667 -3.652 -0.214 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.301 -3.822 -1.552 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.006 -4.717 -2.360 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.090 -5.425 -1.839 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.484 -5.225 -0.517 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.785 -4.329 0.293 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.956 -0.144 0.886 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.625 -0.611 0.281 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.390 0.859 1.720 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.766 1.218 2.712 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.697 1.486 1.379 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.178 1.525 0.063 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.415 2.129 -0.226 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.148 2.714 0.818 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.663 2.688 2.127 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.440 2.078 2.406 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.922 2.188 -1.647 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.537 1.114 -2.391 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.281 2.229 -1.730 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.471 3.287 -2.311 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 1.079 -4.507 -1.704 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.641 -4.299 -0.258 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.584 0.262 2.461 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -3.514 0.936 1.583 0.00 0.00 -0.306 N ATOM 42 H LIG 1 -4.147 0.345 1.060 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.586 2.297 1.503 0.00 0.00 +0.237 C ATOM 44 O LIG 1 -2.886 3.067 2.147 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.609 2.766 0.544 0.00 0.00 +0.072 C ATOM 46 C LIG 1 -4.795 4.083 0.381 0.00 0.00 +0.072 C BRANCH 46 47 ATOM 47 C LIG 1 -5.816 4.548 -0.575 0.00 0.00 +0.235 C ATOM 48 O LIG 1 -6.517 3.799 -1.240 0.00 0.00 -0.271 OA ATOM 49 N LIG 1 -5.921 5.901 -0.653 0.00 0.00 -0.326 N ATOM 50 H LIG 1 -6.607 6.279 -1.292 0.00 0.00 +0.145 HD ATOM 51 H LIG 1 -5.360 6.543 -0.113 0.00 0.00 +0.145 HD ENDBRANCH 46 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10