REMARK Name = BDB062363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.596 1.181 1.272 0.00 0.00 +0.227 C ATOM 2 N LIG 1 -0.649 0.653 1.669 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -1.803 1.530 1.334 0.00 0.00 +0.165 C ATOM 4 C LIG 1 -2.614 1.694 2.630 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -1.561 1.491 3.706 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -0.730 0.361 3.106 0.00 0.00 +0.140 C ATOM 7 O LIG 1 1.157 2.003 2.004 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.177 0.725 -0.105 0.00 0.00 +0.072 C ATOM 9 C LIG 1 0.777 -0.722 -0.491 0.00 0.00 +0.021 C ATOM 10 C LIG 1 0.772 -0.718 -2.013 0.00 0.00 +0.001 C ATOM 11 C LIG 1 0.158 0.624 -2.371 0.00 0.00 +0.001 C ATOM 12 C LIG 1 0.515 1.575 -1.224 0.00 0.00 +0.021 C BRANCH 8 16 ATOM 13 C LIG 1 5.568 0.747 0.048 0.00 0.00 +0.120 A ATOM 14 C LIG 1 4.810 0.172 1.064 0.00 0.00 +0.046 A ATOM 15 C LIG 1 3.415 0.178 1.003 0.00 0.00 +0.008 A ATOM 16 C LIG 1 2.728 0.764 -0.078 0.00 0.00 -0.032 A ATOM 17 C LIG 1 3.511 1.310 -1.107 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.911 1.309 -1.043 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 7.728 1.339 -0.739 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.919 0.690 0.234 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 8 16 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.706 0.975 0.224 0.00 0.00 +0.238 C ATOM 22 N LIG 1 -2.784 -0.406 0.229 0.00 0.00 -0.283 N ATOM 23 H LIG 1 -2.207 -0.872 0.918 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 -3.371 1.730 -0.477 0.00 0.00 -0.273 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.560 -1.235 -0.606 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -3.529 -2.636 -0.399 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -4.301 -3.471 -1.202 0.00 0.00 +0.068 A ATOM 28 N LIG 1 -4.075 -4.742 -0.742 0.00 0.00 -0.277 N ATOM 29 H LIG 1 -4.498 -5.603 -1.078 0.00 0.00 +0.189 HD ATOM 30 N LIG 1 -3.197 -4.809 0.271 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 -5.120 -3.001 -2.231 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -5.137 -1.619 -2.437 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.880 -3.531 0.486 0.00 0.00 +0.144 A ATOM 34 C LIG 1 -4.376 -0.753 -1.642 0.00 0.00 +0.024 A ENDBRANCH 22 25 ENDBRANCH 3 21 BRANCH 5 35 ATOM 35 O LIG 1 -0.813 2.693 3.872 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 0.043 2.600 3.392 0.00 0.00 +0.210 HD ENDBRANCH 5 35 TORSDOF 6