REMARK Name = BDB062378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.041 0.589 0.350 0.00 0.00 +0.163 A ATOM 2 C LIG 1 2.287 1.295 1.535 0.00 0.00 +0.176 A ATOM 3 C LIG 1 1.665 0.998 2.748 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.174 1.929 3.694 0.00 0.00 +0.050 A ATOM 5 C LIG 1 3.059 2.729 3.012 0.00 0.00 +0.196 A ATOM 6 C LIG 1 0.743 -0.064 2.800 0.00 0.00 +0.017 A ATOM 7 C LIG 1 0.464 -0.796 1.631 0.00 0.00 -0.026 A ATOM 8 O LIG 1 3.132 2.357 1.710 0.00 0.00 -0.459 OA ATOM 9 C LIG 1 1.111 -0.459 0.431 0.00 0.00 +0.054 A ENDROOT BRANCH 1 10 ATOM 10 O LIG 1 2.587 0.790 -0.906 0.00 0.00 -0.488 OA BRANCH 10 11 ATOM 11 C LIG 1 3.618 1.774 -0.999 0.00 0.00 +0.231 C BRANCH 11 12 ATOM 12 C LIG 1 4.150 1.780 -2.432 0.00 0.00 +0.069 C BRANCH 12 13 ATOM 13 C LIG 1 4.914 0.502 -2.774 0.00 0.00 +0.163 C BRANCH 13 15 ATOM 14 C LIG 1 7.197 1.078 -2.421 0.00 0.00 +0.193 C ATOM 15 O LIG 1 6.076 0.336 -1.960 0.00 0.00 -0.383 OA ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 7 16 ATOM 16 C LIG 1 -0.546 -1.924 1.661 0.00 0.00 +0.143 C BRANCH 16 17 ATOM 17 N LIG 1 -1.867 -1.502 1.189 0.00 0.00 -0.292 N ATOM 18 C LIG 1 -2.175 -1.723 -0.161 0.00 0.00 +0.246 C ATOM 19 O LIG 1 -1.427 -2.370 -0.902 0.00 0.00 -0.273 OA BRANCH 18 20 ATOM 20 C LIG 1 -3.497 -1.133 -0.695 0.00 0.00 +0.217 C ATOM 21 O LIG 1 -4.594 -1.964 -0.273 0.00 0.00 -0.365 OA ATOM 22 C LIG 1 -5.625 -2.101 -1.258 0.00 0.00 +0.176 C ATOM 23 C LIG 1 -5.832 -0.818 -2.076 0.00 0.00 +0.109 C ATOM 24 N LIG 1 -4.635 -0.399 -2.822 0.00 0.00 -0.311 NA ATOM 25 H LIG 1 -4.703 -0.701 -3.794 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -3.417 -1.001 -2.233 0.00 0.00 +0.122 C ENDBRANCH 18 20 BRANCH 17 27 ATOM 27 C LIG 1 -2.631 -0.623 2.046 0.00 0.00 +0.077 C ATOM 28 C LIG 1 -3.993 -1.007 2.565 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -2.843 -0.906 3.515 0.00 0.00 +0.024 C ENDBRANCH 17 27 ENDBRANCH 16 17 ENDBRANCH 7 16 TORSDOF 9