REMARK Name = BDB062368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.746 0.120 -1.809 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.526 -0.016 -1.222 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.380 -1.104 -1.473 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.931 -2.095 -2.371 0.00 0.00 -0.029 A ATOM 5 C LIG 1 1.753 -3.316 -2.684 0.00 0.00 +0.045 C ATOM 6 C LIG 1 -0.310 -1.942 -3.007 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.127 -0.841 -2.740 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.482 1.272 -1.518 0.00 0.00 -0.327 N ATOM 9 H LIG 1 -1.226 1.627 -0.598 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.946 1.323 -1.720 0.00 0.00 +0.225 C BRANCH 10 11 ATOM 11 C LIG 1 -3.491 2.732 -1.647 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -3.506 3.677 -0.627 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -2.974 3.561 0.757 0.00 0.00 +0.066 C ATOM 14 N LIG 1 -4.117 4.881 -0.955 0.00 0.00 -0.252 NA ATOM 15 C LIG 1 -4.541 4.851 -2.195 0.00 0.00 +0.156 A ATOM 16 S LIG 1 -4.255 3.401 -3.047 0.00 0.00 -0.078 S ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 P LIG 1 -3.812 0.221 -0.535 0.00 0.00 +0.358 P ATOM 18 O LIG 1 -3.861 -1.235 -0.909 0.00 0.00 -0.256 OA BRANCH 17 19 ATOM 19 O LIG 1 -3.120 0.513 0.901 0.00 0.00 -0.307 OA BRANCH 19 21 ATOM 20 C LIG 1 -1.586 -1.193 1.626 0.00 0.00 +0.034 C ATOM 21 C LIG 1 -2.950 -0.560 1.811 0.00 0.00 +0.167 C ENDBRANCH 19 21 ENDBRANCH 17 19 BRANCH 17 22 ATOM 22 O LIG 1 -5.285 0.862 -0.339 0.00 0.00 -0.307 OA BRANCH 22 23 ATOM 23 C LIG 1 -6.296 0.080 0.270 0.00 0.00 +0.167 C ATOM 24 C LIG 1 -7.224 -0.458 -0.799 0.00 0.00 +0.034 C ENDBRANCH 22 23 ENDBRANCH 17 22 ENDBRANCH 10 17 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 N LIG 1 2.611 -1.262 -0.818 0.00 0.00 -0.283 N ATOM 26 H LIG 1 3.260 -1.919 -1.222 0.00 0.00 +0.155 HD BRANCH 25 27 ATOM 27 C LIG 1 3.253 -0.589 0.218 0.00 0.00 +0.220 A ATOM 28 N LIG 1 4.519 -0.980 0.442 0.00 0.00 -0.214 NA ATOM 29 C LIG 1 5.217 -0.381 1.433 0.00 0.00 +0.077 A ATOM 30 C LIG 1 4.650 0.599 2.221 0.00 0.00 +0.048 A ATOM 31 C LIG 1 3.349 0.927 1.932 0.00 0.00 +0.116 A ATOM 32 N LIG 1 2.641 0.352 0.947 0.00 0.00 -0.223 NA BRANCH 29 33 ATOM 33 C LIG 1 6.601 -0.854 1.611 0.00 0.00 +0.019 A ATOM 34 C LIG 1 6.968 -2.162 1.282 0.00 0.00 +0.120 A ATOM 35 N LIG 1 8.214 -2.685 1.422 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 9.164 -1.863 1.905 0.00 0.00 +0.111 A ATOM 37 C LIG 1 8.927 -0.546 2.256 0.00 0.00 +0.020 A ATOM 38 C LIG 1 7.634 -0.042 2.105 0.00 0.00 +0.013 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 11