REMARK Name = BDB050358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.207 -0.385 0.921 0.00 0.00 +0.141 A ATOM 2 C LIG 1 -0.482 -0.467 2.155 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.897 -0.557 2.143 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.573 -0.636 3.382 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -1.887 -0.635 4.598 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.504 -0.552 4.606 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.588 -0.545 0.899 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -1.863 -0.465 -0.303 0.00 0.00 +0.031 A ATOM 9 C LIG 1 0.190 -0.467 3.399 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.470 -0.349 -0.308 0.00 0.00 -0.006 A ATOM 11 C LIG 1 0.264 -0.258 -1.615 0.00 0.00 +0.047 C ENDROOT BRANCH 7 12 ATOM 12 N LIG 1 -4.004 -0.711 0.881 0.00 0.00 -0.285 N ATOM 13 H LIG 1 -4.239 -1.663 1.157 0.00 0.00 +0.155 HD BRANCH 12 14 ATOM 14 C LIG 1 -4.840 -0.205 -0.050 0.00 0.00 +0.198 A ATOM 15 N LIG 1 -4.675 1.065 -0.541 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -3.936 1.693 -0.268 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -5.678 1.314 -1.440 0.00 0.00 +0.067 A ATOM 18 C LIG 1 -6.439 0.150 -1.423 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -7.575 0.064 -2.241 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -7.903 1.158 -3.053 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -7.118 2.314 -3.047 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.982 2.420 -2.235 0.00 0.00 +0.028 A ATOM 23 N LIG 1 -5.914 -0.770 -0.547 0.00 0.00 -0.214 NA ENDBRANCH 12 14 ENDBRANCH 7 12 BRANCH 1 24 ATOM 24 O LIG 1 1.582 -0.248 0.922 0.00 0.00 -0.436 OA BRANCH 24 26 ATOM 25 C LIG 1 3.677 -1.264 0.386 0.00 0.00 +0.062 A ATOM 26 C LIG 1 2.326 -1.413 0.728 0.00 0.00 +0.230 A ATOM 27 N LIG 1 1.702 -2.611 0.881 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 2.433 -3.720 0.660 0.00 0.00 +0.114 A ATOM 29 C LIG 1 3.766 -3.695 0.297 0.00 0.00 +0.021 A ATOM 30 C LIG 1 4.386 -2.456 0.159 0.00 0.00 +0.017 A BRANCH 25 33 ATOM 31 C LIG 1 5.792 1.313 -1.032 0.00 0.00 +0.215 A ATOM 32 N LIG 1 5.156 0.151 -0.841 0.00 0.00 -0.214 NA ATOM 33 C LIG 1 4.349 0.038 0.240 0.00 0.00 +0.081 A ATOM 34 C LIG 1 4.208 1.068 1.148 0.00 0.00 +0.048 A ATOM 35 C LIG 1 4.911 2.213 0.874 0.00 0.00 +0.116 A ATOM 36 N LIG 1 5.705 2.357 -0.199 0.00 0.00 -0.223 NA BRANCH 31 38 ATOM 37 C LIG 1 7.770 2.188 -2.031 0.00 0.00 +0.128 C ATOM 38 N LIG 1 6.580 1.382 -2.171 0.00 0.00 -0.317 N ATOM 39 H LIG 1 6.731 0.425 -2.469 0.00 0.00 +0.149 HD ENDBRANCH 31 38 ENDBRANCH 25 33 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 6