REMARK Name = BDB020383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.576 0.561 1.357 0.00 0.00 +0.179 C ATOM 2 N LIG 1 0.489 -0.177 0.618 0.00 0.00 -0.286 N ATOM 3 C LIG 1 1.734 -0.278 1.243 0.00 0.00 +0.233 C ATOM 4 O LIG 1 1.889 0.194 2.372 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 0.223 -0.384 -0.812 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -0.179 0.931 -1.499 0.00 0.00 +0.128 C ATOM 7 N LIG 1 -1.281 1.605 -0.806 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -1.749 1.019 0.457 0.00 0.00 +0.141 C ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -1.883 2.678 -1.401 0.00 0.00 +0.282 C ATOM 10 O LIG 1 -2.941 3.194 -0.727 0.00 0.00 -0.455 OA ATOM 11 C LIG 1 -3.254 4.428 -1.379 0.00 0.00 +0.234 C ATOM 12 C LIG 1 -2.532 4.297 -2.733 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -3.503 3.800 -3.817 0.00 0.00 +0.040 C ATOM 14 C LIG 1 -1.819 5.551 -3.239 0.00 0.00 +0.040 C ATOM 15 N LIG 1 -1.532 3.229 -2.518 0.00 0.00 -0.226 NA BRANCH 11 16 ATOM 16 C LIG 1 -2.892 5.601 -0.486 0.00 0.00 -0.005 A ATOM 17 C LIG 1 -3.712 6.742 -0.477 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -3.395 7.843 0.321 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.255 7.821 1.121 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.430 6.698 1.122 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.744 5.597 0.323 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 7 9 BRANCH 1 24 ATOM 22 N LIG 1 -0.917 -1.623 2.447 0.00 0.00 -0.310 N ATOM 23 H LIG 1 -0.323 -1.952 1.699 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -1.214 -0.279 2.483 0.00 0.00 +0.235 C ATOM 25 O LIG 1 -2.017 0.204 3.279 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -1.587 -2.593 3.279 0.00 0.00 +0.139 C BRANCH 26 31 ATOM 27 C LIG 1 -4.963 -3.173 1.592 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -4.772 -4.434 0.994 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.523 -5.067 1.132 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -2.498 -4.487 1.879 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.696 -3.254 2.503 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -3.932 -2.603 2.349 0.00 0.00 +0.051 A BRANCH 27 34 ATOM 33 C LIG 1 -6.379 -1.276 1.910 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.180 -2.579 1.374 0.00 0.00 -0.495 OA ENDBRANCH 27 34 BRANCH 28 35 ATOM 35 C LIG 1 -5.854 -5.068 0.146 0.00 0.00 +0.117 C BRANCH 35 36 ATOM 36 N LIG 1 -5.901 -6.527 0.277 0.00 0.00 -0.326 NA ATOM 37 H LIG 1 -6.697 -6.872 -0.257 0.00 0.00 +0.119 HD ATOM 38 H LIG 1 -6.101 -6.748 1.252 0.00 0.00 +0.119 HD ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 26 31 ENDBRANCH 22 26 ENDBRANCH 1 24 BRANCH 3 39 ATOM 39 C LIG 1 2.887 -1.013 0.496 0.00 0.00 +0.143 C BRANCH 39 40 ATOM 40 N LIG 1 3.716 -1.874 1.381 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 4.523 -1.166 2.375 0.00 0.00 +0.105 C ATOM 42 C LIG 1 2.931 -2.926 2.027 0.00 0.00 +0.105 C ENDBRANCH 39 40 BRANCH 39 43 ATOM 43 C LIG 1 3.669 0.016 -0.351 0.00 0.00 +0.028 C BRANCH 43 44 ATOM 44 C LIG 1 4.561 -0.583 -1.448 0.00 0.00 +0.003 C BRANCH 44 45 ATOM 45 C LIG 1 5.890 -1.153 -0.946 0.00 0.00 +0.015 C BRANCH 45 46 ATOM 46 C LIG 1 6.788 -1.580 -2.117 0.00 0.00 +0.084 C BRANCH 46 47 ATOM 47 N LIG 1 8.137 -1.991 -1.692 0.00 0.00 -0.308 NA ATOM 48 C LIG 1 8.999 -2.171 -2.863 0.00 0.00 +0.104 C ATOM 49 C LIG 1 8.116 -3.223 -0.901 0.00 0.00 +0.104 C ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 39 43 ENDBRANCH 3 39 TORSDOF 15