REMARK Name = BDB043023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.441 -0.609 0.411 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.041 -1.657 1.244 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.063 -2.511 0.802 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.302 -3.417 1.818 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.392 -3.050 2.828 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.647 -2.382 -0.425 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -1.223 -1.410 -1.196 0.00 0.00 +0.124 A ATOM 8 N LIG 1 0.366 -2.006 2.504 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.130 -0.467 -0.800 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.304 -4.532 1.828 0.00 0.00 +0.018 C ATOM 11 C LIG 1 -3.359 -4.330 2.917 0.00 0.00 +0.012 C ATOM 12 C LIG 1 -1.629 -5.896 1.979 0.00 0.00 +0.012 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.463 0.250 0.824 0.00 0.00 -0.323 N ATOM 14 H LIG 1 1.921 0.772 0.077 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.380 0.032 1.938 0.00 0.00 +0.160 C BRANCH 15 22 ATOM 16 C LIG 1 7.897 4.662 0.290 0.00 0.00 +0.044 C ATOM 17 C LIG 1 6.894 3.833 1.035 0.00 0.00 -0.046 A ATOM 18 C LIG 1 5.986 3.053 0.408 0.00 0.00 +0.050 A ATOM 19 C LIG 1 5.056 2.284 1.167 0.00 0.00 +0.138 A ATOM 20 N LIG 1 5.141 2.373 2.551 0.00 0.00 -0.306 N ATOM 21 C LIG 1 4.172 1.550 3.064 0.00 0.00 +0.117 A ATOM 22 C LIG 1 3.531 0.999 1.973 0.00 0.00 +0.077 A ATOM 23 C LIG 1 6.065 3.173 3.215 0.00 0.00 +0.093 A ATOM 24 N LIG 1 4.090 1.472 0.795 0.00 0.00 -0.231 NA ATOM 25 C LIG 1 6.936 3.903 2.497 0.00 0.00 +0.021 A ENDBRANCH 15 22 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 26 ATOM 26 N LIG 1 -1.855 -1.325 -2.413 0.00 0.00 -0.329 N ATOM 27 H LIG 1 -2.590 -2.024 -2.481 0.00 0.00 +0.147 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.093 -0.107 -3.163 0.00 0.00 +0.109 C BRANCH 28 29 ATOM 29 C LIG 1 -3.040 0.860 -2.428 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.447 0.272 -2.207 0.00 0.00 +0.133 C ATOM 31 C LIG 1 -5.243 0.197 -3.524 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -5.342 1.512 -4.175 0.00 0.00 -0.314 NA ATOM 33 H LIG 1 -5.798 2.142 -3.509 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -4.014 2.061 -4.463 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -3.157 2.189 -3.201 0.00 0.00 +0.023 C BRANCH 30 36 ATOM 36 O LIG 1 -5.151 1.125 -1.290 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 -6.004 0.700 -1.095 0.00 0.00 +0.210 HD ENDBRANCH 30 36 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 7 26 TORSDOF 8