REMARK Name = BDB057855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.816 0.120 0.546 0.00 0.00 +0.165 A ATOM 2 N LIG 1 -4.273 0.643 1.698 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -3.375 1.155 2.544 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.001 1.157 2.281 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.111 1.740 3.220 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.587 2.295 4.407 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.950 2.277 4.667 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.619 0.568 1.065 0.00 0.00 +0.131 A ATOM 9 C LIG 1 -3.825 1.712 3.735 0.00 0.00 +0.028 A ATOM 10 N LIG 1 -2.522 0.075 0.202 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 13 ATOM 11 F LIG 1 -3.189 -1.636 -1.667 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.462 -1.264 -1.463 0.00 0.00 +0.134 A ATOM 13 C LIG 1 -4.812 -0.423 -0.394 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -6.183 -0.115 -0.256 0.00 0.00 +0.014 A ATOM 15 C LIG 1 -7.145 -0.615 -1.142 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.761 -1.442 -2.192 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -5.417 -1.767 -2.351 0.00 0.00 +0.039 A ENDBRANCH 1 13 BRANCH 8 18 ATOM 18 N LIG 1 -0.252 0.515 0.717 0.00 0.00 -0.324 N ATOM 19 H LIG 1 0.264 0.074 1.472 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 0.023 -0.149 -0.554 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 1.521 -0.192 -0.762 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.232 0.985 -1.025 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.619 0.954 -1.206 0.00 0.00 +0.009 A ATOM 24 C LIG 1 4.333 -0.252 -1.127 0.00 0.00 -0.016 A ATOM 25 C LIG 1 3.611 -1.427 -0.860 0.00 0.00 +0.009 A ATOM 26 C LIG 1 2.224 -1.399 -0.676 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.790 -0.285 -1.317 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.647 0.557 -0.606 0.00 0.00 +0.119 A ATOM 29 N LIG 1 7.997 0.580 -0.733 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 8.533 -0.285 -1.618 0.00 0.00 +0.111 A ATOM 31 C LIG 1 7.785 -1.167 -2.377 0.00 0.00 +0.020 A ATOM 32 C LIG 1 6.400 -1.165 -2.222 0.00 0.00 +0.011 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 8 18 TORSDOF 5