REMARK Name = BDB027097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.576 -1.473 -1.089 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.293 -2.721 -1.920 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.985 -2.628 -3.287 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.740 -3.776 -4.041 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.811 -5.032 -3.442 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.132 -5.142 -2.091 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.376 -3.995 -1.334 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.413 -0.445 -1.224 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.458 0.480 -2.040 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.297 1.594 0.412 0.00 0.00 +0.039 A ATOM 11 C LIG 1 3.972 0.388 1.054 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.763 -0.232 0.704 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.884 0.296 -0.244 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.762 -0.598 -0.347 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.005 -1.628 0.547 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.229 1.517 -0.864 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.201 -1.395 1.171 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.617 -1.991 1.875 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.428 2.157 -0.525 0.00 0.00 +0.014 A BRANCH 10 23 ATOM 20 C LIG 1 7.938 2.124 1.272 0.00 0.00 +0.128 C ATOM 21 N LIG 1 6.638 1.531 1.081 0.00 0.00 -0.314 N ATOM 22 H LIG 1 6.599 0.545 0.863 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 5.559 2.319 0.727 0.00 0.00 +0.244 C ATOM 24 O LIG 1 5.614 3.539 0.633 0.00 0.00 -0.270 OA ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.882 -0.890 -1.505 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.476 -1.655 -1.825 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.583 -0.192 -0.420 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -2.943 1.134 0.017 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -3.752 1.817 1.100 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -3.640 1.475 2.459 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -2.551 0.245 3.003 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -4.416 2.123 3.424 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -5.312 3.115 3.035 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -6.271 3.911 4.222 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.442 3.465 1.694 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.667 2.818 0.731 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8