REMARK Name = BDB024358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.580 -1.947 1.978 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.938 -2.906 0.850 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.276 -2.460 -0.439 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.609 -3.370 -1.444 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.620 -4.737 -1.174 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.306 -5.195 0.103 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.972 -4.287 1.109 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -1.265 -0.931 0.707 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.417 -1.878 0.380 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.211 -0.674 1.559 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.060 0.433 2.025 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.116 1.528 -1.046 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.007 0.159 -1.248 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -3.070 -0.631 -0.665 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.184 -0.038 0.163 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.208 1.324 0.424 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.186 2.113 -0.188 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -7.354 0.921 -1.422 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -6.536 2.069 -1.887 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -5.146 2.310 -1.697 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -4.922 3.527 -2.305 0.00 0.00 +0.116 A ATOM 22 N LIG 1 -6.122 3.927 -2.812 0.00 0.00 -0.274 N ATOM 23 C LIG 1 -6.395 5.138 -3.546 0.00 0.00 +0.172 C ATOM 24 N LIG 1 -7.119 3.059 -2.577 0.00 0.00 -0.176 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 1.700 -1.623 2.900 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 1.412 -0.807 3.446 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.013 -1.363 2.297 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 3.219 0.011 1.612 0.00 0.00 +0.030 C ATOM 29 C LIG 1 3.227 1.168 2.619 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 4.500 0.025 0.784 0.00 0.00 -0.043 A ATOM 31 C LIG 1 5.756 -0.210 1.365 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.917 -0.198 0.587 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.838 0.053 -0.786 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.594 0.292 -1.375 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.434 0.279 -0.595 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 8.028 0.066 -1.585 0.00 0.00 +0.099 C ATOM 37 N LIG 1 8.990 0.077 -2.234 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9