REMARK Name = BDB024625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.852 -1.045 -0.320 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.595 -1.551 0.053 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.454 -2.974 0.450 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.115 -3.241 1.814 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.007 -3.486 0.534 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.164 -2.897 -0.574 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.183 -1.407 -0.404 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.023 -0.623 -0.577 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.253 -1.020 -0.897 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.980 0.079 -0.939 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.210 1.184 -0.641 0.00 0.00 -0.327 N ATOM 12 C LIG 1 1.083 0.756 -0.429 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.271 1.421 -0.121 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.422 0.636 0.034 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.403 -0.760 -0.103 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.089 0.090 -0.720 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 8.131 -1.540 -0.642 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.836 -1.991 -0.240 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.656 2.567 -0.612 0.00 0.00 +0.127 C BRANCH 19 20 ATOM 20 C LIG 1 -1.347 2.977 0.698 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -1.946 4.385 0.558 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -2.568 4.860 1.870 0.00 0.00 +0.081 C ATOM 23 N LIG 1 -1.591 4.827 2.957 0.00 0.00 -0.316 NA ATOM 24 H LIG 1 -2.038 5.145 3.817 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -1.079 3.471 3.165 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -0.399 2.937 1.906 0.00 0.00 +0.020 C ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 27 ATOM 27 C LIG 1 -2.437 0.116 -1.287 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.178 -1.123 -0.752 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.538 -1.267 -1.420 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.708 -2.199 -2.456 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.945 -2.341 -3.087 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.024 -1.552 -2.695 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.865 -0.613 -1.678 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.629 -0.467 -1.046 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.297 -1.072 0.769 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -3.157 -0.067 1.453 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.641 -2.264 1.319 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -3.773 -2.966 0.652 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8