REMARK Name = BDB026903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.176 -1.110 1.504 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.147 -1.950 2.324 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.758 -1.445 3.484 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.646 -2.231 4.221 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.925 -3.535 3.817 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.308 -4.059 2.683 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.421 -3.274 1.944 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -1.301 1.271 1.936 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 -1.724 0.324 1.262 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -2.740 0.533 0.220 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -3.302 1.788 -0.201 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.226 1.521 -1.213 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.962 2.523 -1.856 0.00 0.00 +0.026 A ATOM 14 C LIG 1 -4.748 3.845 -1.455 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.835 4.148 -0.449 0.00 0.00 +0.001 A ATOM 16 N LIG 1 -4.240 0.160 -1.399 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -4.828 -0.318 -2.068 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -3.108 3.132 0.183 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -3.347 -0.443 -0.552 0.00 0.00 +0.095 A ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 N LIG 1 0.132 -1.061 2.207 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 0.116 -0.242 2.822 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 1.293 -0.987 1.314 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 1.459 0.336 0.552 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 2.743 0.363 -0.244 0.00 0.00 -0.046 A ATOM 25 C LIG 1 2.812 -0.243 -1.503 0.00 0.00 +0.004 A ATOM 26 C LIG 1 4.006 -0.230 -2.235 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.154 0.388 -1.722 0.00 0.00 +0.004 A ATOM 28 C LIG 1 5.078 0.992 -0.459 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.887 0.978 0.275 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 6.407 0.421 -2.458 0.00 0.00 +0.112 A ATOM 31 N LIG 1 7.517 1.120 -2.049 0.00 0.00 -0.130 NA ATOM 32 N LIG 1 8.479 0.939 -2.943 0.00 0.00 -0.068 NA ATOM 33 N LIG 1 7.990 0.139 -3.899 0.00 0.00 -0.264 N ATOM 34 H LIG 1 8.590 -0.115 -4.675 0.00 0.00 +0.190 HD ATOM 35 C LIG 1 6.699 -0.215 -3.644 0.00 0.00 +0.135 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8