REMARK Name = BDB037843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.180 -1.807 -1.433 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.024 -1.021 -0.639 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.588 0.026 0.153 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.749 0.609 0.734 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.840 -0.038 0.290 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.861 0.395 0.248 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.658 -0.923 0.065 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.387 -1.059 -0.466 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.208 -1.668 -1.218 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.052 -2.175 -1.969 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.802 1.742 1.687 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.015 2.380 1.928 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.290 2.149 1.314 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.168 3.340 1.601 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.344 4.316 2.404 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.808 2.985 0.184 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.089 3.525 2.849 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.784 2.138 2.259 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.223 3.078 4.251 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.360 2.748 5.357 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.377 -2.031 -0.922 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.237 -1.456 -2.058 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.622 -1.098 -1.546 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.315 -2.243 -1.051 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.519 -3.180 -0.326 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.238 -2.582 0.231 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.111 -0.753 0.014 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.572 -1.177 -0.785 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.840 -0.468 1.144 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.320 -0.272 2.236 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.322 -0.440 0.990 0.00 0.00 +0.039 A ATOM 32 C LIG 1 5.924 -0.156 -0.248 0.00 0.00 +0.039 A ATOM 33 C LIG 1 7.326 -0.147 -0.300 0.00 0.00 +0.047 A ATOM 34 C LIG 1 8.125 -0.397 0.816 0.00 0.00 -0.000 A ATOM 35 C LIG 1 9.479 -0.305 0.391 0.00 0.00 +0.027 A ATOM 36 C LIG 1 9.478 -0.004 -0.951 0.00 0.00 +0.083 A ATOM 37 C LIG 1 7.504 -0.663 2.051 0.00 0.00 +0.011 A ATOM 38 N LIG 1 8.174 0.093 -1.359 0.00 0.00 -0.361 N ATOM 39 H LIG 1 7.873 0.308 -2.299 0.00 0.00 +0.165 HD ATOM 40 C LIG 1 6.105 -0.677 2.125 0.00 0.00 +0.014 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.255 1.438 -0.792 0.00 0.00 -0.001 C ATOM 42 C LIG 1 2.405 2.383 -0.536 0.00 0.00 +0.004 C ATOM 43 C LIG 1 0.999 2.907 -0.554 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.535 -4.112 -2.267 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.583 -2.622 -2.574 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7