REMARK Name = BDB022478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.518 -2.528 0.020 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.235 -2.038 -0.294 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.103 -2.877 -0.335 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -0.292 -4.237 -0.038 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.558 -4.744 0.261 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.663 -3.896 0.284 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.238 -2.364 -0.671 0.00 0.00 +0.091 A ATOM 8 N LIG 1 2.285 -2.938 -0.016 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 3.523 -2.468 -0.287 0.00 0.00 +0.144 A ATOM 10 C LIG 1 3.712 -1.478 -1.243 0.00 0.00 +0.154 A ATOM 11 N LIG 1 2.693 -0.889 -1.915 0.00 0.00 -0.258 NA ATOM 12 C LIG 1 1.460 -1.356 -1.606 0.00 0.00 +0.139 A BRANCH 9 13 ATOM 13 N LIG 1 4.541 -3.109 0.417 0.00 0.00 -0.266 N ATOM 14 H LIG 1 4.241 -3.984 0.828 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 5.863 -2.845 0.580 0.00 0.00 +0.242 C ATOM 16 O LIG 1 6.633 -3.731 0.950 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 6.409 -1.483 0.383 0.00 0.00 +0.064 C ATOM 18 C LIG 1 5.860 -0.411 0.977 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 6.465 0.965 0.972 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 5.720 1.993 0.265 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 5.771 1.925 -1.191 0.00 0.00 +0.085 C ATOM 22 C LIG 1 4.588 2.768 -1.659 0.00 0.00 +0.017 C ATOM 23 C LIG 1 3.858 3.181 -0.388 0.00 0.00 +0.017 C ATOM 24 C LIG 1 4.326 2.175 0.647 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -4.482 -1.677 1.378 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -3.708 -1.569 0.060 0.00 0.00 +0.102 C BRANCH 26 27 ATOM 27 C LIG 1 -4.666 -1.750 -1.118 0.00 0.00 +0.225 C ATOM 28 N LIG 1 -5.418 -0.722 -1.595 0.00 0.00 -0.268 N ATOM 29 H LIG 1 -5.998 -0.977 -2.385 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 -4.813 -2.849 -1.666 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 -5.564 0.599 -1.257 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -6.398 1.319 -2.016 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 -6.367 2.551 -1.487 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -6.932 3.279 -1.911 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 -5.549 2.641 -0.406 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -5.005 1.393 -0.231 0.00 0.00 +0.068 A BRANCH 35 37 ATOM 37 C LIG 1 -5.274 3.904 0.435 0.00 0.00 +0.037 C ATOM 38 C LIG 1 -5.515 3.857 1.921 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -6.437 4.646 1.038 0.00 0.00 +0.010 C ENDBRANCH 35 37 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9