REMARK Name = BDB031885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.176 2.487 -1.167 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.475 3.220 -0.191 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.166 2.836 0.125 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.515 1.773 -0.485 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.780 1.725 0.123 0.00 0.00 +0.152 A ATOM 6 N LIG 1 0.912 2.690 1.039 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -1.203 1.048 -1.476 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.261 3.338 1.015 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.384 4.125 1.641 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.516 1.422 -1.803 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.148 -1.322 0.699 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.967 0.024 0.347 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.697 0.560 -0.703 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.761 1.925 -1.328 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.589 2.857 -1.558 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.823 1.789 -2.395 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.262 0.477 -2.367 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.980 0.131 -2.984 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.203 2.684 -3.132 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.632 3.175 -0.505 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.615 -0.260 -1.375 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.821 -1.586 -1.057 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.071 -2.119 -0.004 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.492 -3.098 2.143 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.370 -1.739 1.745 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.698 0.795 -0.232 0.00 0.00 -0.293 N ATOM 27 H LIG 1 1.438 0.116 -0.943 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.019 0.550 0.204 0.00 0.00 +0.095 A ATOM 29 C LIG 1 3.745 -0.525 -0.344 0.00 0.00 +0.237 A ATOM 30 N LIG 1 5.008 -0.873 -0.004 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 5.608 -0.103 0.937 0.00 0.00 +0.131 A ATOM 32 C LIG 1 4.992 0.993 1.531 0.00 0.00 +0.035 A ATOM 33 C LIG 1 3.684 1.312 1.162 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 7.022 -0.429 1.312 0.00 0.00 +0.287 C ATOM 35 N LIG 1 7.483 -1.742 1.084 0.00 0.00 -0.179 N ATOM 36 C LIG 1 6.679 -2.881 1.489 0.00 0.00 +0.167 C ATOM 37 O LIG 1 7.724 0.475 1.772 0.00 0.00 -0.266 OA BRANCH 35 38 ATOM 38 O LIG 1 8.775 -1.900 1.685 0.00 0.00 -0.280 OA ATOM 39 C LIG 1 9.748 -1.895 0.644 0.00 0.00 +0.227 C ENDBRANCH 35 38 ENDBRANCH 31 34 BRANCH 29 40 ATOM 40 O LIG 1 3.075 -1.274 -1.305 0.00 0.00 -0.478 OA ATOM 41 C LIG 1 3.892 -2.275 -1.905 0.00 0.00 +0.279 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7