REMARK Name = BDB061143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.582 0.026 0.026 0.00 0.00 +0.055 A ATOM 2 C LIG 1 0.744 1.415 -0.182 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.364 2.254 -0.028 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.610 1.726 0.324 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.784 0.347 0.534 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.666 -0.493 0.380 0.00 0.00 +0.033 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 2.022 1.899 -0.557 0.00 0.00 -0.326 N ATOM 8 C LIG 1 2.058 2.319 -1.978 0.00 0.00 +0.120 C ATOM 9 C LIG 1 3.385 3.048 -2.288 0.00 0.00 +0.103 C ATOM 10 N LIG 1 3.630 4.261 -1.474 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 3.433 5.484 -2.247 0.00 0.00 +0.105 C ATOM 12 C LIG 1 2.797 4.275 -0.252 0.00 0.00 +0.103 C ATOM 13 C LIG 1 2.610 2.881 0.388 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 -3.102 -0.202 0.903 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -3.648 -1.300 0.214 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -4.898 -1.823 0.559 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -5.631 -1.240 1.594 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -5.098 -0.166 2.312 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -3.846 0.350 1.962 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 -6.943 -1.820 1.962 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -8.050 -0.977 2.069 0.00 0.00 -0.304 N ATOM 22 C LIG 1 -8.153 0.333 1.441 0.00 0.00 +0.132 C ATOM 23 C LIG 1 -9.289 -1.540 2.576 0.00 0.00 +0.132 C ATOM 24 O LIG 1 -6.991 -3.029 2.174 0.00 0.00 -0.270 OA ENDBRANCH 17 20 ENDBRANCH 5 14 BRANCH 1 26 ATOM 25 C LIG 1 1.892 -2.113 -0.029 0.00 0.00 +0.250 C ATOM 26 N LIG 1 1.748 -0.751 -0.133 0.00 0.00 -0.280 N ATOM 27 H LIG 1 2.556 -0.176 -0.366 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 1.016 -2.933 0.218 0.00 0.00 -0.270 OA BRANCH 25 33 ATOM 29 C LIG 1 6.446 -2.403 -2.320 0.00 0.00 +0.048 C ATOM 30 C LIG 1 5.467 -2.761 -1.237 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.150 -2.264 -1.217 0.00 0.00 +0.059 A ATOM 32 CL LIG 1 3.615 -1.253 -2.522 0.00 0.00 -0.082 Cl ATOM 33 C LIG 1 3.284 -2.614 -0.166 0.00 0.00 +0.057 A ATOM 34 C LIG 1 3.716 -3.495 0.840 0.00 0.00 +0.040 A ATOM 35 C LIG 1 4.996 -4.043 0.807 0.00 0.00 +0.061 A ATOM 36 C LIG 1 5.868 -3.627 -0.209 0.00 0.00 +0.148 A ATOM 37 F LIG 1 7.125 -4.104 -0.204 0.00 0.00 -0.203 F BRANCH 35 38 ATOM 38 N LIG 1 5.460 -4.812 1.885 0.00 0.00 -0.356 N ATOM 39 H LIG 1 6.287 -5.360 1.654 0.00 0.00 +0.142 HD ATOM 40 H LIG 1 4.743 -5.360 2.351 0.00 0.00 +0.142 HD ENDBRANCH 35 38 ENDBRANCH 25 33 ENDBRANCH 1 26 TORSDOF 6