REMARK Name = BDB051530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.523 2.824 -1.050 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.615 2.374 -0.293 0.00 0.00 +0.164 A ATOM 3 C LIG 1 2.437 1.310 0.598 0.00 0.00 +0.078 A ATOM 4 C LIG 1 1.215 0.666 0.746 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.131 1.085 -0.034 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.068 0.366 0.155 0.00 0.00 +0.134 A ATOM 7 N LIG 1 -1.170 -0.624 1.059 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -0.068 -0.925 1.750 0.00 0.00 +0.223 A ATOM 9 N LIG 1 1.126 -0.335 1.627 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 0.294 2.174 -0.928 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 0.625 4.587 -2.384 0.00 0.00 +0.277 C ATOM 12 O LIG 1 1.757 3.877 -1.899 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 -2.191 0.680 -0.660 0.00 0.00 -0.299 N ATOM 14 H LIG 1 -1.913 0.599 -1.633 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.534 0.285 -0.472 0.00 0.00 +0.033 A ATOM 16 C LIG 1 -4.370 0.135 -1.589 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -5.734 -0.195 -1.460 0.00 0.00 -0.039 A ATOM 18 C LIG 1 -6.554 -0.384 -2.709 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -6.285 -0.365 -0.175 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -5.453 -0.190 0.942 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -4.103 0.143 0.793 0.00 0.00 +0.024 A BRANCH 19 22 ATOM 22 C LIG 1 -7.696 -0.735 0.015 0.00 0.00 +0.110 A ATOM 23 S LIG 1 -8.720 0.247 0.991 0.00 0.00 -0.067 S ATOM 24 C LIG 1 -10.042 -0.805 0.669 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -9.612 -1.829 -0.177 0.00 0.00 +0.079 A ATOM 26 C LIG 1 -10.540 -2.812 -0.578 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -11.861 -2.750 -0.122 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -12.267 -1.722 0.723 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -11.367 -0.731 1.131 0.00 0.00 +0.017 A ATOM 30 N LIG 1 -8.281 -1.770 -0.551 0.00 0.00 -0.239 NA ENDBRANCH 19 22 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 3.795 3.048 -0.483 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 5.001 2.525 0.082 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 5.554 1.391 -0.781 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 6.871 0.821 -0.243 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 6.754 0.294 1.128 0.00 0.00 -0.300 NA ATOM 36 C LIG 1 8.091 0.123 1.732 0.00 0.00 +0.100 C ATOM 37 C LIG 1 8.972 -0.993 1.106 0.00 0.00 +0.099 C ATOM 38 N LIG 1 8.210 -2.088 0.479 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 8.992 -3.315 0.406 0.00 0.00 +0.105 C ATOM 40 C LIG 1 6.935 -2.287 1.177 0.00 0.00 +0.099 C ATOM 41 C LIG 1 6.046 -1.011 1.167 0.00 0.00 +0.100 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9