REMARK Name = BDB064648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.914 2.817 -1.330 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.698 1.971 -0.260 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.539 1.521 0.112 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.011 3.197 -2.070 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.593 1.087 -1.077 0.00 0.00 +0.221 C ATOM 6 N LIG 1 3.172 2.062 -1.956 0.00 0.00 -0.287 N ATOM 7 C LIG 1 2.394 3.224 -1.514 0.00 0.00 +0.164 C ATOM 8 C LIG 1 2.589 4.226 -2.646 0.00 0.00 +0.065 C ATOM 9 C LIG 1 2.664 3.346 -3.895 0.00 0.00 +0.134 C ATOM 10 C LIG 1 3.334 2.058 -3.403 0.00 0.00 +0.140 C ATOM 11 O LIG 1 3.355 1.196 0.128 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 3.411 3.979 -4.925 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 4.263 4.271 -4.558 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 4.335 -0.098 -1.679 0.00 0.00 +0.132 C BRANCH 14 19 ATOM 15 C LIG 1 5.731 -4.144 2.173 0.00 0.00 +0.065 C ATOM 16 C LIG 1 5.339 -3.108 1.163 0.00 0.00 +0.038 A ATOM 17 N LIG 1 6.226 -2.116 0.916 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 5.867 -1.175 0.013 0.00 0.00 +0.115 A ATOM 19 C LIG 1 4.666 -1.179 -0.686 0.00 0.00 -0.021 A ATOM 20 C LIG 1 3.766 -2.208 -0.405 0.00 0.00 +0.007 A ATOM 21 C LIG 1 4.104 -3.185 0.527 0.00 0.00 +0.023 A ENDBRANCH 14 19 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 22 ATOM 22 C LIG 1 -0.533 1.190 -0.176 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 C LIG 1 -0.359 -0.062 -1.069 0.00 0.00 +0.231 C ATOM 24 O LIG 1 0.731 -0.510 -1.423 0.00 0.00 -0.274 OA ATOM 25 N LIG 1 -1.508 -0.695 -1.447 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -1.431 -1.530 -2.011 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 -2.424 -0.417 -1.117 0.00 0.00 +0.145 HD ENDBRANCH 22 23 BRANCH 22 28 ATOM 28 C LIG 1 -0.806 0.790 1.282 0.00 0.00 +0.067 C BRANCH 28 29 ATOM 29 C LIG 1 -2.201 0.263 1.524 0.00 0.00 -0.045 A ATOM 30 C LIG 1 -2.409 -1.087 1.829 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.703 -1.579 2.028 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.822 -0.737 1.933 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.601 0.616 1.634 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.310 1.112 1.434 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -6.183 -1.257 2.143 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -7.053 -0.656 3.069 0.00 0.00 +0.008 A ATOM 37 C LIG 1 -8.345 -1.148 3.270 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.791 -2.251 2.547 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.946 -2.863 1.625 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.654 -2.370 1.426 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 2 22 TORSDOF 9