REMARK Name = BDB045357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.668 -1.369 1.845 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.750 -1.774 0.499 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.572 -1.869 -0.250 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.309 -1.623 0.276 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.410 -1.838 -0.815 0.00 0.00 +0.093 A ATOM 6 N LIG 1 2.074 -2.143 -1.939 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.221 -1.241 1.628 0.00 0.00 +0.012 A ATOM 8 N LIG 1 3.360 -2.185 -1.562 0.00 0.00 -0.276 N ATOM 9 H LIG 1 4.056 -2.422 -2.259 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.396 -1.127 2.388 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.233 2.284 -0.534 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.930 1.476 0.569 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.952 0.766 1.186 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.987 -0.188 2.347 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.921 -1.216 2.677 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.448 -0.554 2.478 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.126 0.119 1.478 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.124 0.046 1.351 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.914 -1.306 3.316 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.120 0.003 3.558 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.265 0.902 0.707 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.602 1.703 -0.361 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.563 2.398 -0.984 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.950 2.783 -0.974 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.327 3.015 -1.255 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.019 -1.726 -0.813 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.842 -1.992 0.215 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.305 -1.872 0.143 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.001 -1.387 1.256 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.395 -1.282 1.235 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.127 -1.664 0.102 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -4.429 -2.178 -0.999 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.035 -2.283 -0.978 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.638 -1.543 0.083 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -7.192 -0.283 -0.419 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 -6.869 0.899 0.390 0.00 0.00 +0.116 C ATOM 37 C LIG 1 -7.349 2.215 -0.266 0.00 0.00 +0.130 C ATOM 38 C LIG 1 -8.870 2.337 -0.302 0.00 0.00 +0.039 C ATOM 39 O LIG 1 -6.851 2.410 -1.603 0.00 0.00 -0.371 OA ATOM 40 C LIG 1 -6.214 1.250 -2.161 0.00 0.00 +0.130 C ATOM 41 C LIG 1 -6.091 1.476 -3.662 0.00 0.00 +0.039 C ATOM 42 C LIG 1 -7.007 -0.040 -1.857 0.00 0.00 +0.116 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6