REMARK Name = BDB037749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.442 2.213 -1.430 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.520 1.243 -1.119 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.497 -0.048 -1.620 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.731 -0.631 -1.243 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.410 0.197 -0.433 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.645 -0.571 -2.438 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.905 0.261 -2.078 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.638 1.306 -0.316 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.589 1.772 -2.135 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.359 2.557 -2.695 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.267 -1.948 -1.619 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.653 -2.792 -0.583 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.134 -4.122 -0.827 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.509 -4.747 0.485 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.254 -3.734 1.568 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.558 -4.517 -0.569 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.618 -2.501 0.870 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.336 -2.290 -2.799 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -1.242 -2.275 1.359 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -0.157 -2.067 1.719 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.038 2.224 0.747 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.913 3.378 0.259 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.414 4.218 1.432 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -2.616 4.087 2.608 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -1.223 4.004 2.333 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -0.914 2.654 1.702 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.437 -0.045 -0.738 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.793 0.028 0.040 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.791 -0.029 -0.489 0.00 0.00 +0.245 C ATOM 30 O LIG 1 4.639 0.114 -1.360 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.205 -0.163 0.936 0.00 0.00 +0.040 A ATOM 32 C LIG 1 3.427 -0.882 1.857 0.00 0.00 +0.061 A ATOM 33 C LIG 1 3.928 -0.930 3.153 0.00 0.00 +0.156 A ATOM 34 C LIG 1 5.109 -0.338 3.575 0.00 0.00 +0.109 A ATOM 35 N LIG 1 5.299 -0.578 4.912 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 4.250 -1.300 5.241 0.00 0.00 +0.309 A ATOM 37 C LIG 1 5.884 0.365 2.645 0.00 0.00 +0.032 A ATOM 38 O LIG 1 3.371 -1.556 4.231 0.00 0.00 -0.442 OA ATOM 39 C LIG 1 5.418 0.439 1.323 0.00 0.00 +0.015 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 0.944 -2.051 -2.273 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.953 -2.722 -3.180 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.499 -3.062 -3.303 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.551 4.114 -2.665 0.00 0.00 +0.025 C ATOM 44 C LIG 1 0.221 3.656 -1.435 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7