REMARK Name = BDB037340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.444 -1.507 2.510 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.530 -1.510 1.448 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.031 -0.375 0.896 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.198 -0.848 0.241 0.00 0.00 +0.069 A ATOM 5 N LIG 1 -1.243 -2.187 0.237 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.479 0.988 1.231 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.893 0.893 1.861 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.068 -2.582 0.796 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.978 -0.255 2.891 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.602 -0.104 3.945 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.411 1.861 -0.015 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.813 1.419 -1.293 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.758 2.272 -2.396 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.310 3.576 -2.233 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.259 4.393 -3.293 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.083 4.043 -0.987 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.028 3.192 0.119 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 0.429 -3.888 0.530 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.458 -4.888 0.105 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.016 -6.168 -0.191 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.376 -6.451 -0.084 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.268 -5.454 0.309 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.800 -4.172 0.607 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.993 0.678 0.911 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.060 -0.227 0.467 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.737 1.734 0.433 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.590 2.893 0.801 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.723 1.409 -0.629 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.965 2.365 -1.624 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.877 2.102 -2.659 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.559 0.875 -2.664 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.330 -0.072 -1.664 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.414 0.193 -0.645 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.146 3.141 -3.721 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.081 4.049 -3.333 0.00 0.00 -0.166 F ATOM 36 F LIG 1 5.038 3.856 -4.058 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.606 2.603 -4.886 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.428 -2.442 4.574 0.00 0.00 +0.025 C ATOM 39 C LIG 1 1.514 -2.578 3.514 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.333 -0.081 -0.362 0.00 0.00 +0.061 C BRANCH 40 41 ATOM 41 C LIG 1 -3.647 -0.297 0.399 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 C LIG 1 -4.755 0.552 -0.158 0.00 0.00 -0.021 C ATOM 43 C LIG 1 -5.394 1.496 0.551 0.00 0.00 +0.063 C BRANCH 43 44 ATOM 44 C LIG 1 -6.429 2.363 -0.064 0.00 0.00 +0.239 C ATOM 45 N LIG 1 -7.550 1.759 -0.604 0.00 0.00 -0.304 N ATOM 46 C LIG 1 -7.943 0.373 -0.389 0.00 0.00 +0.132 C ATOM 47 C LIG 1 -8.491 2.581 -1.344 0.00 0.00 +0.132 C ATOM 48 O LIG 1 -6.242 3.578 -0.049 0.00 0.00 -0.271 OA ENDBRANCH 43 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10