REMARK Name = BDB054283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.523 -0.214 -2.082 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.656 -1.016 -2.261 0.00 0.00 +0.023 A ATOM 3 C LIG 1 2.579 -0.732 -3.273 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.395 0.374 -4.111 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.250 1.161 -3.942 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.325 0.872 -2.933 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.039 -0.440 0.488 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -1.319 -0.762 1.115 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -1.598 -0.016 -0.758 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -0.337 -0.538 -1.012 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.079 -1.341 -0.461 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -2.227 0.705 -1.522 0.00 0.00 -0.252 OA BRANCH 7 16 ATOM 13 C LIG 1 -5.811 0.075 2.345 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -4.703 -0.411 3.049 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.468 -0.569 2.411 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.312 -0.239 1.060 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -4.415 0.242 0.355 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -5.651 0.402 0.992 0.00 0.00 +0.007 A BRANCH 13 19 ATOM 19 C LIG 1 -7.150 0.252 3.031 0.00 0.00 +0.119 C BRANCH 19 21 ATOM 20 C LIG 1 -7.566 -2.064 3.708 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -8.073 -0.893 3.002 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -8.519 -1.240 1.657 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 3.433 0.735 -5.148 0.00 0.00 +0.054 C BRANCH 23 24 ATOM 24 C LIG 1 4.168 2.065 -4.891 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 N LIG 1 4.942 2.045 -3.647 0.00 0.00 -0.328 N ATOM 26 H LIG 1 5.418 1.163 -3.484 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 4.250 2.477 -2.510 0.00 0.00 +0.134 A ATOM 28 C LIG 1 4.341 1.822 -1.272 0.00 0.00 +0.098 A ATOM 29 C LIG 1 3.580 2.342 -0.238 0.00 0.00 +0.234 A ATOM 30 O LIG 1 3.744 1.596 0.887 0.00 0.00 -0.435 OA ATOM 31 C LIG 1 4.606 0.577 0.591 0.00 0.00 +0.157 A ATOM 32 N LIG 1 2.780 3.413 -0.276 0.00 0.00 -0.200 NA ATOM 33 C LIG 1 2.772 3.967 -1.492 0.00 0.00 +0.227 A ATOM 34 C LIG 1 5.006 0.689 -0.729 0.00 0.00 +0.099 A ATOM 35 CL LIG 1 6.090 -0.303 -1.592 0.00 0.00 -0.079 Cl ATOM 36 N LIG 1 3.451 3.569 -2.584 0.00 0.00 -0.220 NA BRANCH 31 37 ATOM 37 C LIG 1 4.869 -0.345 1.694 0.00 0.00 +0.019 A ATOM 38 C LIG 1 4.817 0.105 3.023 0.00 0.00 +0.011 A ATOM 39 C LIG 1 5.064 -0.765 4.088 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.365 -2.102 3.840 0.00 0.00 +0.000 A ATOM 41 C LIG 1 5.414 -2.568 2.528 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.166 -1.696 1.463 0.00 0.00 +0.011 A ENDBRANCH 31 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 9