REMARK Name = BDB016761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.941 -2.264 -0.254 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.758 -1.420 -1.366 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.420 -0.669 -1.454 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.433 -0.728 -0.507 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.432 0.180 -0.978 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -2.060 0.757 -2.131 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.268 -1.587 0.595 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.854 0.230 -2.387 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.369 0.529 -3.226 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.089 -2.341 0.700 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.758 1.381 0.541 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.206 0.097 0.667 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.860 -0.987 0.099 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.567 -2.460 0.046 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.199 -3.091 -0.120 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.748 -3.040 -0.698 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.575 -1.984 -1.037 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.441 -2.109 -1.536 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 4.916 -4.223 -0.944 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 2.936 -3.180 1.202 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.071 -0.767 -0.572 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.645 0.478 -0.714 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.971 1.565 -0.148 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.509 3.700 1.022 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.020 2.369 1.135 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -3.675 0.446 -0.311 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -4.605 1.312 -0.750 0.00 0.00 +0.011 C BRANCH 27 28 ATOM 28 C LIG 1 -5.870 1.590 -0.061 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -6.404 2.878 -0.078 0.00 0.00 +0.118 A ATOM 30 N LIG 1 -7.576 3.233 0.503 0.00 0.00 -0.263 NA ATOM 31 C LIG 1 -8.262 2.251 1.123 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -7.834 0.936 1.186 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -6.623 0.603 0.580 0.00 0.00 +0.011 A ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 4