REMARK Name = BDB024136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.415 -0.098 0.253 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.601 -1.476 0.886 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.348 -2.646 0.151 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.509 -3.901 0.737 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.932 -4.003 2.061 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.201 -2.851 2.798 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.040 -1.593 2.215 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.002 -0.214 0.679 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.684 -0.679 1.517 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.047 0.098 -0.285 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.289 0.523 -1.412 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.146 0.211 0.365 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.261 0.667 -0.605 0.00 0.00 +0.121 A ATOM 14 N LIG 1 2.912 0.547 -0.534 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.387 -0.063 0.538 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.189 -0.553 1.564 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.577 -0.416 1.475 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 9.643 1.844 -0.970 0.00 0.00 +0.172 C ATOM 19 N LIG 1 8.566 1.106 -0.358 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.848 0.111 0.499 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.645 -0.340 0.862 0.00 0.00 +0.143 A ATOM 22 C LIG 1 6.584 0.364 0.243 0.00 0.00 +0.021 A ATOM 23 C LIG 1 7.226 1.300 -0.542 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.447 0.088 -0.791 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.333 -0.271 -0.433 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.633 1.499 -1.153 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.720 1.667 -2.228 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.111 1.324 -1.740 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.673 0.073 -2.027 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.949 -0.254 -1.562 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.676 0.668 -0.804 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.120 1.918 -0.513 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.844 2.244 -0.978 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -8.985 0.334 -0.323 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -10.043 0.064 0.071 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9