REMARK Name = BDB000306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.004 0.645 -0.564 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -1.024 0.346 0.402 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.326 0.172 0.054 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.330 -0.103 1.019 0.00 0.00 -0.262 N ATOM 5 C LIG 1 2.626 -0.425 0.623 0.00 0.00 +0.268 C ATOM 6 C LIG 1 2.871 -0.513 -0.911 0.00 0.00 +0.208 C ATOM 7 O LIG 1 1.950 0.163 -1.769 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 2.771 -2.009 -1.278 0.00 0.00 +0.071 C ATOM 9 O LIG 1 3.507 -0.701 1.442 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.679 0.297 -1.293 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -0.278 0.612 -2.260 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.612 0.782 -1.900 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 4.237 0.113 -1.236 0.00 0.00 +0.010 A ATOM 14 C LIG 1 5.384 -0.642 -1.534 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.600 -0.012 -1.804 0.00 0.00 +0.127 A ATOM 16 F LIG 1 7.675 -0.760 -2.088 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.719 1.369 -1.786 0.00 0.00 +0.076 A ATOM 18 C LIG 1 5.597 2.124 -1.486 0.00 0.00 +0.127 A ATOM 19 F LIG 1 5.688 3.460 -1.459 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.372 1.517 -1.212 0.00 0.00 +0.046 A ENDBRANCH 6 13 BRANCH 1 22 ATOM 21 C LIG 1 -4.326 -0.227 -0.126 0.00 0.00 +0.056 A ATOM 22 C LIG 1 -3.410 0.823 -0.177 0.00 0.00 +0.043 A ATOM 23 C LIG 1 -3.932 2.073 0.171 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -5.211 2.260 0.522 0.00 0.00 -0.199 NA ATOM 25 C LIG 1 -6.007 1.195 0.524 0.00 0.00 +0.214 A ATOM 26 N LIG 1 -5.617 -0.046 0.236 0.00 0.00 -0.219 NA BRANCH 23 27 ATOM 27 N LIG 1 -3.125 3.227 0.167 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -2.335 3.095 0.790 0.00 0.00 +0.144 HD ATOM 29 H LIG 1 -2.755 3.377 -0.768 0.00 0.00 +0.144 HD ENDBRANCH 23 27 BRANCH 25 30 ATOM 30 N LIG 1 -7.321 1.379 0.899 0.00 0.00 -0.327 N ATOM 31 H LIG 1 -7.394 2.216 1.461 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 -7.689 0.522 1.286 0.00 0.00 +0.145 HD ENDBRANCH 25 30 BRANCH 21 34 ATOM 33 C LIG 1 -3.595 -2.437 0.811 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -3.954 -1.655 -0.443 0.00 0.00 +0.053 C ENDBRANCH 21 34 ENDBRANCH 1 22 BRANCH 4 35 ATOM 35 C LIG 1 1.042 -0.104 2.451 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 C LIG 1 0.648 -1.487 2.972 0.00 0.00 +0.175 C BRANCH 36 37 ATOM 37 O LIG 1 0.336 -1.426 4.359 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 1.175 -1.307 4.840 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 8