REMARK Name = BDB055922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.763 -0.805 0.590 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.116 -0.103 -0.424 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -0.284 -0.065 -0.481 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.066 -0.745 0.458 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.411 -1.414 1.498 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.987 -1.453 1.557 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.126 -0.394 -0.141 0.00 0.00 +0.255 C ATOM 8 N LIG 1 3.164 -0.894 0.722 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.497 -1.419 1.522 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.918 0.185 -1.201 0.00 0.00 -0.270 OA BRANCH 7 12 ATOM 11 C LIG 1 6.508 0.372 0.131 0.00 0.00 +0.135 A ATOM 12 C LIG 1 5.532 -0.622 0.283 0.00 0.00 +0.114 A ATOM 13 C LIG 1 5.917 -1.857 0.811 0.00 0.00 +0.139 A ATOM 14 F LIG 1 5.019 -2.839 0.984 0.00 0.00 -0.205 F ATOM 15 C LIG 1 7.237 -2.105 1.187 0.00 0.00 +0.039 A ATOM 16 C LIG 1 8.197 -1.107 1.043 0.00 0.00 +0.006 A ATOM 17 C LIG 1 7.831 0.136 0.525 0.00 0.00 +0.046 A BRANCH 11 19 ATOM 18 C LIG 1 6.566 1.832 -1.649 0.00 0.00 +0.277 C ATOM 19 O LIG 1 6.175 1.633 -0.289 0.00 0.00 -0.494 OA ENDBRANCH 11 19 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 N LIG 1 -2.478 -0.677 0.448 0.00 0.00 -0.314 N ATOM 21 H LIG 1 -2.888 -1.330 1.114 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.338 -0.574 -0.682 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -4.594 0.075 -0.599 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -5.430 -0.094 -1.718 0.00 0.00 +0.143 A ATOM 25 N LIG 1 -6.732 0.389 -1.696 0.00 0.00 -0.306 N ATOM 26 H LIG 1 -7.298 0.196 -2.509 0.00 0.00 +0.170 HD ATOM 27 C LIG 1 -7.317 1.018 -0.637 0.00 0.00 +0.258 A ATOM 28 C LIG 1 -6.454 1.312 0.533 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -7.006 2.058 1.588 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.214 2.433 2.665 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.870 2.082 2.675 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.325 1.333 1.622 0.00 0.00 +0.009 A ATOM 33 O LIG 1 -8.499 1.344 -0.659 0.00 0.00 -0.267 OA ATOM 34 N LIG 1 -5.110 -0.754 -2.852 0.00 0.00 -0.237 NA ATOM 35 C LIG 1 -3.898 -1.325 -2.898 0.00 0.00 +0.115 A ATOM 36 C LIG 1 -5.106 0.892 0.537 0.00 0.00 -0.000 A ATOM 37 C LIG 1 -3.004 -1.284 -1.849 0.00 0.00 +0.043 A ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 5