REMARK Name = BDB024468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.912 -0.297 -0.373 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.151 -1.105 -0.029 0.00 0.00 -0.308 N ATOM 3 H LIG 1 0.059 -1.915 0.549 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.828 0.647 -1.148 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.482 -0.319 0.652 0.00 0.00 +0.123 A ATOM 6 N LIG 1 4.504 -1.373 1.482 0.00 0.00 -0.221 NA ATOM 7 C LIG 1 3.352 -2.036 1.663 0.00 0.00 +0.224 A ATOM 8 N LIG 1 2.180 -1.745 1.095 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 2.208 -0.666 0.278 0.00 0.00 +0.130 A ATOM 10 C LIG 1 3.332 0.088 0.021 0.00 0.00 +0.076 A BRANCH 5 11 ATOM 11 N LIG 1 5.697 0.343 0.513 0.00 0.00 -0.326 N ATOM 12 H LIG 1 6.353 -0.183 1.090 0.00 0.00 +0.148 HD BRANCH 11 18 ATOM 13 C LIG 1 11.399 0.244 -0.656 0.00 0.00 +0.109 C ATOM 14 C LIG 1 10.292 -0.746 -0.919 0.00 0.00 +0.212 C ATOM 15 N LIG 1 8.982 -0.267 -0.874 0.00 0.00 -0.302 N ATOM 16 C LIG 1 7.915 -1.258 -0.986 0.00 0.00 +0.109 C ATOM 17 C LIG 1 6.633 -0.672 -1.565 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.191 0.606 -0.845 0.00 0.00 +0.075 C ATOM 19 C LIG 1 7.353 1.602 -0.779 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.625 0.987 -0.210 0.00 0.00 +0.109 C ATOM 21 O LIG 1 10.564 -1.919 -1.176 0.00 0.00 -0.276 OA ENDBRANCH 11 18 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 -1.459 -0.988 -0.659 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -2.243 0.227 -0.136 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -2.433 0.105 1.282 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.541 -0.043 1.645 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.589 0.427 -0.874 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.417 -0.791 -1.034 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -5.111 -1.169 0.223 0.00 0.00 +0.138 C ATOM 29 C LIG 1 -6.333 -0.338 0.456 0.00 0.00 +0.037 A ATOM 30 N LIG 1 -7.000 -0.180 1.643 0.00 0.00 -0.345 N ATOM 31 C LIG 1 -8.085 0.662 1.461 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -8.104 1.029 0.110 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -9.118 1.893 -0.350 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -10.082 2.366 0.546 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -10.044 1.992 1.886 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -9.048 1.137 2.368 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -6.623 -0.782 2.903 0.00 0.00 +0.149 C ATOM 38 C LIG 1 -6.998 0.393 -0.508 0.00 0.00 -0.016 A ATOM 39 C LIG 1 -6.498 0.450 -1.909 0.00 0.00 +0.053 C ATOM 40 C LIG 1 -5.408 -0.630 -2.134 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 8