REMARK Name = BDB022337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.969 -1.371 -0.183 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -2.540 -1.451 0.230 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.850 -2.675 0.134 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.514 -2.742 0.561 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.147 -1.611 1.050 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.501 -0.383 1.123 0.00 0.00 +0.032 A ATOM 7 N LIG 1 -2.504 -3.816 -0.420 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.797 -5.082 -0.539 0.00 0.00 +0.152 C ATOM 9 C LIG 1 -3.795 -3.743 -0.912 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -4.393 -4.674 -1.450 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -1.837 -0.319 0.698 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -4.506 -2.459 -0.750 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -4.659 -0.188 0.038 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -4.284 0.412 0.770 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 -6.912 -0.587 0.950 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -6.092 0.085 -0.151 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 -6.354 1.595 -0.104 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -5.631 2.334 0.775 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 -5.898 3.653 0.808 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -6.850 4.256 0.021 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -7.537 3.421 -0.826 0.00 0.00 +0.114 A ATOM 22 N LIG 1 -7.318 2.095 -0.906 0.00 0.00 -0.238 NA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 N LIG 1 0.128 0.804 1.541 0.00 0.00 -0.313 N ATOM 24 H LIG 1 -0.491 1.415 2.072 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 1.490 1.154 1.673 0.00 0.00 +0.055 A ATOM 26 C LIG 1 1.907 2.031 2.678 0.00 0.00 +0.080 A ATOM 27 CL LIG 1 0.789 2.748 3.778 0.00 0.00 -0.080 Cl ATOM 28 C LIG 1 3.256 2.316 2.789 0.00 0.00 +0.134 A ATOM 29 N LIG 1 4.209 1.807 1.973 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 3.821 0.984 0.975 0.00 0.00 +0.123 A ATOM 31 C LIG 1 2.474 0.637 0.820 0.00 0.00 +0.068 A BRANCH 30 32 ATOM 32 N LIG 1 4.784 0.435 0.106 0.00 0.00 -0.310 N ATOM 33 C LIG 1 6.175 0.708 0.537 0.00 0.00 +0.137 C ATOM 34 C LIG 1 7.160 -0.008 -0.412 0.00 0.00 +0.133 C ATOM 35 C LIG 1 8.602 0.310 -0.043 0.00 0.00 +0.039 C ATOM 36 O LIG 1 6.957 0.414 -1.775 0.00 0.00 -0.371 OA ATOM 37 C LIG 1 5.615 0.112 -2.202 0.00 0.00 +0.133 C ATOM 38 C LIG 1 5.483 0.559 -3.651 0.00 0.00 +0.039 C ATOM 39 C LIG 1 4.572 0.821 -1.308 0.00 0.00 +0.137 C ENDBRANCH 30 32 ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 6