REMARK Name = BDB062294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.875 1.962 -0.130 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.772 1.467 0.569 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.466 1.645 0.073 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -1.289 1.017 0.776 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -0.035 1.672 0.421 0.00 0.00 -0.265 N ATOM 6 C LIG 1 0.191 2.144 -0.853 0.00 0.00 +0.310 C ATOM 7 N LIG 1 -0.927 2.449 -1.623 0.00 0.00 -0.258 N ATOM 8 C LIG 1 -0.708 3.005 -2.953 0.00 0.00 +0.140 C ATOM 9 O LIG 1 1.345 2.299 -1.259 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -2.258 2.325 -1.130 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.369 2.835 -1.817 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.666 2.659 -1.321 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -7.185 4.152 0.726 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -7.234 2.671 0.738 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -6.217 1.751 0.366 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -6.795 0.515 0.576 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.356 -0.888 0.404 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -8.064 0.688 1.039 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -8.342 2.037 1.146 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.243 -0.497 0.569 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.313 -1.359 1.677 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -1.268 -2.743 1.505 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.153 -3.288 0.228 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.082 -2.449 -0.878 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.126 -1.064 -0.712 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 1.105 1.520 1.335 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 1.809 0.164 1.226 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.194 -0.195 -0.043 0.00 0.00 -0.307 N ATOM 29 H LIG 1 2.111 0.498 -0.786 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.084 -0.516 2.215 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.679 -1.516 -0.367 0.00 0.00 +0.178 C BRANCH 31 32 ATOM 32 C LIG 1 4.114 -1.674 0.008 0.00 0.00 +0.125 A ATOM 33 N LIG 1 4.543 -1.512 1.305 0.00 0.00 -0.341 N ATOM 34 H LIG 1 3.937 -1.244 2.075 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 5.880 -1.806 1.365 0.00 0.00 +0.067 A ATOM 36 C LIG 1 6.223 -2.142 0.056 0.00 0.00 +0.101 A ATOM 37 C LIG 1 7.553 -2.525 -0.222 0.00 0.00 +0.064 A ATOM 38 C LIG 1 8.481 -2.551 0.836 0.00 0.00 +0.015 A ATOM 39 C LIG 1 8.100 -2.201 2.136 0.00 0.00 +0.003 A ATOM 40 C LIG 1 6.785 -1.822 2.429 0.00 0.00 +0.028 A ATOM 41 N LIG 1 5.115 -2.041 -0.771 0.00 0.00 -0.230 NA BRANCH 37 42 ATOM 42 C LIG 1 7.988 -2.918 -1.584 0.00 0.00 +0.244 C ATOM 43 O LIG 1 9.110 -3.371 -1.801 0.00 0.00 -0.270 OA ATOM 44 N LIG 1 7.082 -2.781 -2.594 0.00 0.00 -0.325 N ATOM 45 H LIG 1 6.126 -2.487 -2.399 0.00 0.00 +0.145 HD ATOM 46 H LIG 1 7.331 -3.105 -3.517 0.00 0.00 +0.145 HD ENDBRANCH 37 42 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7