REMARK Name = BDB037715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.056 -2.331 0.031 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.918 -1.226 0.054 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.489 0.086 -0.020 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.655 0.897 -0.051 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.747 0.117 0.020 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.964 0.441 -0.111 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.727 -0.654 0.676 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.289 -1.154 0.112 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.322 -2.070 0.191 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.189 -2.938 0.029 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.716 2.374 -0.138 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.890 2.987 -0.572 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -2.965 4.416 -0.736 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.366 4.784 -1.129 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.172 3.514 -1.172 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.785 5.290 0.164 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.146 2.354 -1.036 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.734 3.058 0.153 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.978 1.673 -2.338 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.869 1.138 -3.364 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.289 -2.198 0.295 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.246 -1.921 1.472 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.574 -2.645 1.287 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.369 -3.851 0.559 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.041 -3.613 -0.811 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.076 -2.446 -0.993 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.185 -0.541 0.612 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.673 -1.372 0.291 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.862 0.416 1.329 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.297 1.263 2.010 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.349 0.362 1.269 0.00 0.00 +0.040 A ATOM 32 C LIG 1 6.063 0.896 2.352 0.00 0.00 +0.060 A ATOM 33 C LIG 1 7.451 0.835 2.271 0.00 0.00 +0.135 A ATOM 34 C LIG 1 8.150 0.296 1.196 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.525 0.436 1.522 0.00 0.00 +0.049 A ATOM 36 C LIG 1 9.573 1.041 2.757 0.00 0.00 +0.196 A ATOM 37 C LIG 1 7.422 -0.220 0.111 0.00 0.00 +0.012 A ATOM 38 O LIG 1 8.319 1.286 3.218 0.00 0.00 -0.463 OA ATOM 39 C LIG 1 6.019 -0.177 0.159 0.00 0.00 +0.014 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.442 0.533 -1.556 0.00 0.00 -0.001 C ATOM 41 C LIG 1 2.606 1.419 -1.928 0.00 0.00 +0.004 C ATOM 42 C LIG 1 1.218 1.787 -2.366 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.475 -4.593 0.944 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.420 -3.706 -0.292 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7