REMARK Name = BDB060937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.147 1.092 0.398 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -1.114 0.755 0.868 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -1.903 1.861 0.584 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.114 2.741 -0.145 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -1.718 3.948 -0.599 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -3.003 4.244 -0.288 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.779 3.300 0.529 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.220 2.150 0.940 0.00 0.00 +0.095 A ATOM 9 N LIG 1 0.120 2.302 -0.262 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.618 5.457 -0.730 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.776 5.870 -2.033 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -3.426 5.310 -3.353 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -4.412 7.073 -2.043 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -4.685 7.467 -0.747 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.200 6.497 0.041 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -4.313 6.618 1.513 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.583 -0.310 1.593 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.906 -0.646 2.283 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.164 -1.516 0.908 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.047 -2.180 1.976 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.066 -1.107 -0.272 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 -0.977 -2.423 0.441 0.00 0.00 +0.031 C BRANCH 22 23 ATOM 23 C LIG 1 -1.134 -3.935 0.075 0.00 0.00 -0.036 C ATOM 24 C LIG 1 0.190 -4.376 -0.599 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -1.309 -4.820 1.324 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -2.269 -4.220 -0.914 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 27 ATOM 27 C LIG 1 1.441 0.364 0.523 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 2.083 0.082 -0.838 0.00 0.00 +0.041 C BRANCH 28 33 ATOM 29 C LIG 1 5.814 -2.088 -0.400 0.00 0.00 +0.139 A ATOM 30 C LIG 1 4.633 -2.754 -0.765 0.00 0.00 +0.083 A ATOM 31 CL LIG 1 4.608 -4.462 -1.046 0.00 0.00 -0.080 Cl ATOM 32 C LIG 1 3.432 -2.053 -0.919 0.00 0.00 +0.027 A ATOM 33 C LIG 1 3.383 -0.673 -0.700 0.00 0.00 -0.045 A ATOM 34 C LIG 1 4.556 -0.009 -0.325 0.00 0.00 +0.007 A ATOM 35 C LIG 1 5.759 -0.710 -0.175 0.00 0.00 +0.047 A BRANCH 29 36 ATOM 36 O LIG 1 6.938 -2.858 -0.262 0.00 0.00 -0.491 OA BRANCH 36 38 ATOM 37 C LIG 1 8.617 -2.024 1.268 0.00 0.00 +0.048 C ATOM 38 C LIG 1 8.213 -2.223 -0.182 0.00 0.00 +0.226 C ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 10