REMARK Name = BDB053956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.471 1.040 1.205 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.568 0.156 0.875 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -1.859 0.658 0.593 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.055 2.038 0.659 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.370 2.283 0.342 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -3.788 3.202 0.310 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.037 1.112 0.081 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.376 0.885 -0.275 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.496 1.859 -0.518 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.719 0.935 -0.434 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.256 -0.455 -0.898 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.817 -0.428 -0.497 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -4.928 -1.461 -0.369 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.094 -2.901 -0.552 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.120 -3.467 -0.873 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -3.882 -3.458 -0.292 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -3.700 -4.448 -0.338 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -2.941 -2.532 0.043 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.783 -2.754 0.330 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.604 -1.230 -0.008 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.039 2.939 0.996 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.112 0.064 0.229 0.00 0.00 +0.021 A ATOM 23 C LIG 1 0.227 2.414 1.271 0.00 0.00 +0.013 A ENDROOT BRANCH 1 25 ATOM 24 O LIG 1 2.612 1.271 2.152 0.00 0.00 -0.292 OA ATOM 25 C LIG 1 1.846 0.549 1.514 0.00 0.00 +0.164 C BRANCH 25 26 ATOM 26 C LIG 1 2.246 -0.845 1.059 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 3.767 -0.988 0.968 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 4.340 -0.253 -0.244 0.00 0.00 +0.224 C ATOM 29 N LIG 1 5.753 -0.257 -0.411 0.00 0.00 -0.254 N ATOM 30 C LIG 1 6.251 0.435 -1.514 0.00 0.00 +0.083 C ATOM 31 C LIG 1 7.489 0.640 -1.980 0.00 0.00 +0.016 C ATOM 32 C LIG 1 8.754 0.196 -1.475 0.00 0.00 +0.001 C ATOM 33 C LIG 1 8.954 -0.545 -0.386 0.00 0.00 +0.001 C ATOM 34 C LIG 1 7.943 -1.048 0.497 0.00 0.00 +0.016 C ATOM 35 C LIG 1 6.611 -0.913 0.465 0.00 0.00 +0.083 C ATOM 36 O LIG 1 3.569 0.292 -1.044 0.00 0.00 -0.275 OA ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 4