REMARK Name = BDB063190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.089 1.366 1.053 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.170 0.079 0.540 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.395 -0.421 0.067 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.574 0.337 0.084 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -3.459 1.632 0.615 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.245 2.136 1.102 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.776 -0.147 -0.384 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -5.064 -1.544 -0.761 0.00 0.00 +0.089 C ATOM 9 C LIG 1 -6.169 -1.388 -1.838 0.00 0.00 +0.037 C ATOM 10 C LIG 1 -5.560 -1.138 -3.221 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -6.974 -0.177 -1.357 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -5.909 0.735 -0.710 0.00 0.00 +0.137 C BRANCH 11 13 ATOM 13 O LIG 1 -7.952 -0.640 -0.415 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 -8.964 0.321 -0.150 0.00 0.00 +0.194 C ENDBRANCH 11 13 BRANCH 8 15 ATOM 15 C LIG 1 -5.567 -2.324 0.464 0.00 0.00 +0.143 C BRANCH 15 16 ATOM 16 C LIG 1 -4.441 -3.019 1.171 0.00 0.00 +0.306 C ATOM 17 O LIG 1 -3.497 -3.598 0.655 0.00 0.00 -0.251 OA BRANCH 16 18 ATOM 18 O LIG 1 -4.592 -3.026 2.511 0.00 0.00 -0.481 OA ATOM 19 H LIG 1 -3.799 -3.496 2.841 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 O LIG 1 0.028 1.958 1.566 0.00 0.00 -0.488 OA BRANCH 20 25 ATOM 21 N LIG 1 3.979 1.057 0.799 0.00 0.00 -0.327 N ATOM 22 C LIG 1 3.691 2.435 1.210 0.00 0.00 +0.112 C ATOM 23 C LIG 1 2.205 2.761 0.971 0.00 0.00 +0.044 C ATOM 24 C LIG 1 1.993 3.441 -0.386 0.00 0.00 +0.013 C ATOM 25 C LIG 1 1.305 1.512 1.087 0.00 0.00 +0.179 C ATOM 26 C LIG 1 1.918 0.528 2.079 0.00 0.00 +0.064 C ATOM 27 C LIG 1 3.249 0.009 1.540 0.00 0.00 +0.109 C BRANCH 21 30 ATOM 28 C LIG 1 6.907 -0.826 -0.550 0.00 0.00 +0.122 A ATOM 29 C LIG 1 5.599 -0.427 -0.237 0.00 0.00 +0.071 A ATOM 30 C LIG 1 5.325 0.712 0.545 0.00 0.00 +0.069 A ATOM 31 C LIG 1 6.440 1.435 1.008 0.00 0.00 +0.145 A ATOM 32 F LIG 1 6.288 2.516 1.789 0.00 0.00 -0.204 F ATOM 33 C LIG 1 7.746 1.043 0.715 0.00 0.00 +0.044 A ATOM 34 C LIG 1 7.982 -0.090 -0.061 0.00 0.00 +0.048 A BRANCH 28 35 ATOM 35 O LIG 1 6.986 -1.956 -1.315 0.00 0.00 -0.492 OA BRANCH 35 37 ATOM 36 C LIG 1 9.023 -3.242 -1.065 0.00 0.00 +0.048 C ATOM 37 C LIG 1 8.232 -2.279 -1.933 0.00 0.00 +0.225 C ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 21 30 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 10