REMARK Name = BDB031780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.164 1.253 -2.001 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.356 0.221 -2.514 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.164 -0.091 -1.851 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.277 0.581 -0.719 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.511 -0.052 -0.362 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.794 -1.048 -1.207 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.508 1.637 -0.220 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.795 -1.032 -2.097 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.821 -1.705 -2.853 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.708 1.957 -0.872 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.729 -0.381 1.485 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.328 -0.119 0.170 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.978 0.879 -0.547 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.804 1.426 -1.937 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.480 1.618 -2.651 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.879 2.483 -2.051 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.549 2.514 -0.841 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.320 3.138 -0.661 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.093 3.166 -3.038 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.451 0.542 -3.097 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.035 1.577 0.057 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.467 1.333 1.342 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.797 0.339 2.057 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.975 -1.943 1.857 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.167 -1.314 2.316 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.223 0.343 0.717 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -1.908 1.149 1.245 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.526 -0.018 1.131 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -3.993 0.442 2.380 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -5.210 0.135 2.884 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 -5.960 -0.669 2.097 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -5.543 -1.154 0.859 0.00 0.00 +0.067 A ATOM 33 N LIG 1 -4.317 -0.820 0.380 0.00 0.00 -0.230 NA BRANCH 32 34 ATOM 34 C LIG 1 -6.389 -2.085 -0.063 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -5.740 -3.361 -0.654 0.00 0.00 +0.092 C ATOM 36 N LIG 1 -6.567 -3.154 -1.871 0.00 0.00 -0.315 NA ATOM 37 H LIG 1 -6.087 -3.381 -2.741 0.00 0.00 +0.122 HD ATOM 38 C LIG 1 -6.584 -1.704 -1.551 0.00 0.00 +0.092 C ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -3.146 1.274 3.099 0.00 0.00 -0.477 OA ATOM 40 C LIG 1 -3.679 1.644 4.367 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6