REMARK Name = BDB043764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.694 -1.619 -1.798 0.00 0.00 +0.149 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.070 2.396 -0.189 0.00 0.00 +0.087 A ATOM 3 C LIG 1 2.321 1.555 -1.079 0.00 0.00 +0.183 A ATOM 4 N LIG 1 2.046 0.270 -0.704 0.00 0.00 -0.282 N ATOM 5 C LIG 1 1.303 -0.252 -1.742 0.00 0.00 +0.150 A ATOM 6 N LIG 1 1.162 0.678 -2.673 0.00 0.00 -0.133 NA ATOM 7 C LIG 1 2.476 -0.199 0.522 0.00 0.00 +0.122 A ATOM 8 C LIG 1 3.152 0.641 1.335 0.00 0.00 +0.088 A ATOM 9 N LIG 1 1.808 1.818 -2.255 0.00 0.00 -0.128 NA ATOM 10 N LIG 1 3.474 1.946 0.972 0.00 0.00 -0.246 NA BRANCH 8 11 ATOM 11 C LIG 1 3.593 0.176 2.672 0.00 0.00 +0.002 A ATOM 12 C LIG 1 4.845 0.571 3.169 0.00 0.00 +0.010 A ATOM 13 C LIG 1 5.280 0.156 4.431 0.00 0.00 +0.001 A ATOM 14 C LIG 1 4.463 -0.652 5.219 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.210 -1.040 4.750 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.775 -0.625 3.487 0.00 0.00 +0.010 A ENDBRANCH 8 11 BRANCH 2 17 ATOM 17 C LIG 1 3.397 3.814 -0.597 0.00 0.00 +0.062 C BRANCH 17 19 ATOM 18 C LIG 1 5.165 3.276 -2.336 0.00 0.00 +0.007 C ATOM 19 C LIG 1 4.871 3.967 -1.003 0.00 0.00 -0.011 C ATOM 20 C LIG 1 5.234 5.450 -1.098 0.00 0.00 +0.007 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.208 -1.798 -0.573 0.00 0.00 +0.224 C ATOM 22 N LIG 1 -1.337 -1.004 -0.576 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.410 -0.270 -1.276 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 0.053 -2.582 0.339 0.00 0.00 -0.275 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.269 -0.966 0.548 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 -3.741 -0.719 0.099 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 -4.259 -1.726 -0.968 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -4.346 -3.189 -0.477 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -5.776 -3.652 -0.215 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -6.655 -3.536 -1.459 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -6.300 -2.339 -2.341 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -5.605 -1.238 -1.549 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 O LIG 1 -4.615 -0.719 1.231 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -4.572 -1.593 1.652 0.00 0.00 +0.210 HD ENDBRANCH 26 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -1.775 -0.018 1.671 0.00 0.00 +0.028 C BRANCH 35 36 ATOM 36 C LIG 1 -1.169 1.347 1.275 0.00 0.00 -0.009 C ATOM 37 C LIG 1 -0.666 2.057 2.549 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.057 3.424 2.253 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -1.027 4.314 1.486 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -1.510 3.633 0.212 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -2.122 2.259 0.492 0.00 0.00 +0.003 C ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 22 25 ENDBRANCH 1 21 BRANCH 1 42 ATOM 42 C LIG 1 1.767 -2.710 -1.919 0.00 0.00 +0.075 C BRANCH 42 43 ATOM 43 C LIG 1 1.193 -4.037 -2.289 0.00 0.00 +0.036 A ATOM 44 N LIG 1 0.586 -4.869 -1.379 0.00 0.00 -0.348 N ATOM 45 H LIG 1 0.439 -4.671 -0.395 0.00 0.00 +0.166 HD ATOM 46 C LIG 1 0.169 -5.981 -2.051 0.00 0.00 +0.196 A ATOM 47 N LIG 1 0.477 -5.916 -3.326 0.00 0.00 -0.244 NA ATOM 48 C LIG 1 1.119 -4.716 -3.486 0.00 0.00 +0.133 A ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 13