REMARK Name = BDB057435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.612 -0.144 -0.192 0.00 0.00 +0.203 A ATOM 2 N LIG 1 -2.454 0.542 -0.224 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -1.328 -0.172 -0.250 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -1.321 -1.568 -0.245 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.082 -2.243 -0.294 0.00 0.00 +0.015 A ATOM 6 C LIG 1 1.120 -1.531 -0.330 0.00 0.00 +0.024 A ATOM 7 C LIG 1 1.141 -0.132 -0.324 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -2.586 -2.189 -0.207 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -0.111 0.507 -0.283 0.00 0.00 +0.051 A ATOM 10 N LIG 1 -3.725 -1.479 -0.172 0.00 0.00 -0.209 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 2.334 0.580 -0.353 0.00 0.00 -0.330 N ATOM 12 C LIG 1 2.385 1.976 0.089 0.00 0.00 +0.106 C ATOM 13 C LIG 1 3.789 2.331 0.565 0.00 0.00 +0.033 C ATOM 14 C LIG 1 4.827 2.145 -0.544 0.00 0.00 +0.101 C ATOM 15 C LIG 1 4.432 1.062 -1.556 0.00 0.00 +0.033 C ATOM 16 C LIG 1 3.541 -0.015 -0.938 0.00 0.00 +0.106 C BRANCH 14 17 ATOM 17 C LIG 1 6.186 1.897 0.081 0.00 0.00 +0.311 C ATOM 18 O LIG 1 6.986 2.794 0.310 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 6.354 0.586 0.393 0.00 0.00 -0.459 OA BRANCH 19 20 ATOM 20 C LIG 1 7.564 0.122 1.045 0.00 0.00 +0.105 C ATOM 21 C LIG 1 7.358 -1.392 1.210 0.00 0.00 +0.055 C ATOM 22 C LIG 1 8.796 0.355 0.164 0.00 0.00 +0.055 C ATOM 23 C LIG 1 7.722 0.750 2.434 0.00 0.00 +0.055 C ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 7 11 BRANCH 1 24 ATOM 24 C LIG 1 -4.880 0.646 -0.150 0.00 0.00 +0.237 C ATOM 25 O LIG 1 -6.003 0.148 -0.127 0.00 0.00 -0.283 OA BRANCH 24 27 ATOM 26 C LIG 1 -4.961 2.825 -1.327 0.00 0.00 +0.135 A ATOM 27 C LIG 1 -4.772 2.116 -0.136 0.00 0.00 +0.108 A ATOM 28 C LIG 1 -4.500 2.788 1.067 0.00 0.00 +0.135 A ATOM 29 C LIG 1 -4.405 4.184 1.047 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -4.574 4.891 -0.149 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -4.843 4.214 -1.337 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 -6.566 2.129 -2.815 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -5.169 2.173 -2.513 0.00 0.00 -0.494 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -4.336 2.009 2.182 0.00 0.00 -0.494 OA ATOM 35 C LIG 1 -4.114 2.670 3.420 0.00 0.00 +0.277 C ENDBRANCH 28 34 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 36 ATOM 36 N LIG 1 -2.651 -3.606 -0.151 0.00 0.00 -0.282 N ATOM 37 H LIG 1 -2.141 -3.929 0.660 0.00 0.00 +0.155 HD BRANCH 36 38 ATOM 38 C LIG 1 -3.673 -4.375 -0.589 0.00 0.00 +0.146 A ATOM 39 N LIG 1 -4.453 -4.145 -1.647 0.00 0.00 -0.158 NA ATOM 40 N LIG 1 -5.317 -5.165 -1.660 0.00 0.00 -0.280 N ATOM 41 H LIG 1 -6.046 -5.162 -2.366 0.00 0.00 +0.189 HD ATOM 42 C LIG 1 -5.073 -6.103 -0.697 0.00 0.00 +0.035 A ATOM 43 C LIG 1 -5.886 -7.329 -0.558 0.00 0.00 +0.065 C ATOM 44 C LIG 1 -3.998 -5.616 0.013 0.00 0.00 +0.068 A ENDBRANCH 36 38 ENDBRANCH 8 36 TORSDOF 10