REMARK Name = BDB043453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.207 -0.309 -1.910 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.980 -0.142 -0.714 0.00 0.00 +0.247 C ATOM 3 N LIG 1 0.303 -0.153 -0.173 0.00 0.00 -0.294 N ATOM 4 C LIG 1 1.431 -0.301 -1.097 0.00 0.00 +0.128 C ATOM 5 C LIG 1 2.756 0.200 -0.506 0.00 0.00 +0.148 C ATOM 6 N LIG 1 3.029 -0.375 0.802 0.00 0.00 -0.217 N ATOM 7 C LIG 1 1.938 -0.986 1.545 0.00 0.00 +0.148 C ATOM 8 C LIG 1 0.596 -0.290 1.264 0.00 0.00 +0.128 C ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -2.139 0.071 0.181 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -3.202 -0.838 0.122 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -4.339 -0.650 0.919 0.00 0.00 -0.041 A ATOM 12 C LIG 1 -4.378 0.448 1.792 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.326 1.366 1.834 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.210 1.188 1.019 0.00 0.00 +0.013 A BRANCH 11 15 ATOM 15 C LIG 1 -5.484 -1.636 0.856 0.00 0.00 +0.093 C BRANCH 15 16 ATOM 16 C LIG 1 -6.845 -0.976 0.678 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -7.250 -0.448 -0.651 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -8.504 0.155 -0.740 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -8.961 0.680 -1.955 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -8.155 0.601 -3.090 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.901 -0.000 -3.009 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -9.349 0.235 0.462 0.00 0.00 +0.272 A ATOM 23 O LIG 1 -10.459 0.756 0.431 0.00 0.00 -0.266 OA ATOM 24 N LIG 1 -8.823 -0.306 1.608 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -9.395 -0.263 2.446 0.00 0.00 +0.192 HD ATOM 26 C LIG 1 -6.447 -0.526 -1.795 0.00 0.00 +0.010 A ATOM 27 N LIG 1 -7.606 -0.898 1.731 0.00 0.00 -0.175 NA ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 2 9 BRANCH 6 28 ATOM 28 N LIG 1 4.420 -0.553 1.273 0.00 0.00 +0.047 N ATOM 29 N LIG 1 5.354 -0.036 0.579 0.00 0.00 +0.067 NA ATOM 30 O LIG 1 4.579 -1.192 2.363 0.00 0.00 -0.126 OA BRANCH 29 31 ATOM 31 O LIG 1 6.586 -0.357 1.178 0.00 0.00 -0.334 OA BRANCH 31 32 ATOM 32 C LIG 1 7.575 0.207 0.417 0.00 0.00 +0.191 A ATOM 33 C LIG 1 8.408 -0.574 -0.388 0.00 0.00 +0.173 A ATOM 34 C LIG 1 9.468 -0.007 -1.108 0.00 0.00 +0.069 A ATOM 35 C LIG 1 9.681 1.374 -1.007 0.00 0.00 +0.129 A ATOM 36 C LIG 1 8.854 2.171 -0.198 0.00 0.00 +0.036 A ATOM 37 C LIG 1 7.806 1.583 0.518 0.00 0.00 +0.053 A BRANCH 33 38 ATOM 38 N LIG 1 8.180 -2.003 -0.503 0.00 0.00 +0.060 N ATOM 39 O LIG 1 9.165 -2.738 -0.361 0.00 0.00 -0.126 OA ATOM 40 O LIG 1 7.032 -2.378 -0.773 0.00 0.00 -0.126 OA ENDBRANCH 33 38 BRANCH 35 41 ATOM 41 N LIG 1 10.782 1.996 -1.756 0.00 0.00 +0.057 N ATOM 42 O LIG 1 10.971 3.209 -1.597 0.00 0.00 -0.126 OA ATOM 43 O LIG 1 11.448 1.268 -2.504 0.00 0.00 -0.126 OA ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 6 28 TORSDOF 8