REMARK Name = BDB010445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 -0.445 -0.003 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.016 -0.303 0.458 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.307 -0.661 1.756 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.631 -0.478 2.014 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.156 -0.048 0.891 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.577 -1.129 2.647 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.818 -1.177 2.155 0.00 0.00 +0.202 A ATOM 8 N LIG 1 1.168 0.194 -0.046 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.233 -0.846 0.908 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.850 -1.711 3.080 0.00 0.00 +0.202 A ATOM 11 N LIG 1 -4.099 -1.167 3.179 0.00 0.00 -0.276 N ATOM 12 C LIG 1 -4.665 0.008 2.561 0.00 0.00 +0.156 C ATOM 13 C LIG 1 -4.761 -1.919 4.113 0.00 0.00 +0.344 A ATOM 14 O LIG 1 -5.900 -1.777 4.525 0.00 0.00 -0.245 OA ATOM 15 N LIG 1 -3.855 -2.887 4.519 0.00 0.00 -0.226 N ATOM 16 H LIG 1 -4.011 -3.592 5.225 0.00 0.00 +0.194 HD ATOM 17 N LIG 1 -2.660 -2.736 3.873 0.00 0.00 -0.148 NA ENDBRANCH 7 10 BRANCH 5 18 ATOM 18 N LIG 1 3.468 0.238 0.660 0.00 0.00 -0.289 N ATOM 19 C LIG 1 4.224 -0.642 -0.282 0.00 0.00 +0.132 C ATOM 20 C LIG 1 5.614 -0.001 -0.569 0.00 0.00 +0.187 C ATOM 21 O LIG 1 6.354 0.342 0.616 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 5.585 1.202 1.468 0.00 0.00 +0.179 C ATOM 23 C LIG 1 4.252 0.560 1.873 0.00 0.00 +0.136 C BRANCH 19 24 ATOM 24 C LIG 1 4.276 -2.108 0.153 0.00 0.00 -0.025 A ATOM 25 C LIG 1 3.239 -2.977 -0.234 0.00 0.00 +0.005 A ATOM 26 C LIG 1 3.245 -4.323 0.140 0.00 0.00 +0.000 A ATOM 27 C LIG 1 4.290 -4.827 0.907 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.325 -3.985 1.303 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.318 -2.638 0.931 0.00 0.00 +0.005 A ENDBRANCH 19 24 ENDBRANCH 5 18 BRANCH 1 30 ATOM 30 N LIG 1 -1.670 -0.195 -1.321 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -0.923 -0.460 -1.951 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -4.068 0.406 -1.342 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -2.987 -0.523 -1.880 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -3.328 -2.016 -1.820 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -4.116 -2.667 -0.642 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.762 -3.601 -1.685 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -4.496 -2.500 -2.730 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 1.321 0.988 -1.253 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 0.638 2.369 -1.193 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.599 2.997 -2.599 0.00 0.00 +0.005 C ATOM 41 C LIG 1 0.682 4.525 -2.602 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.001 5.179 -1.397 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -1.522 5.029 -1.465 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.565 4.642 -0.069 0.00 0.00 +0.003 C ATOM 45 C LIG 1 1.316 3.312 -0.192 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8