REMARK Name = BDB064593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.148 -1.435 -1.507 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.498 -0.975 -0.382 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.923 -1.258 0.497 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 1.599 -1.546 -2.600 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.547 -0.520 0.714 0.00 0.00 +0.233 C ATOM 6 N LIG 1 4.079 -1.658 0.095 0.00 0.00 -0.286 N ATOM 7 C LIG 1 3.636 -1.794 -1.299 0.00 0.00 +0.164 C ATOM 8 C LIG 1 3.861 -3.273 -1.606 0.00 0.00 +0.065 C ATOM 9 C LIG 1 3.601 -3.957 -0.264 0.00 0.00 +0.134 C ATOM 10 C LIG 1 4.169 -2.959 0.747 0.00 0.00 +0.140 C ATOM 11 O LIG 1 4.943 -0.534 1.882 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 4.265 -5.207 -0.205 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 3.823 -5.803 -0.836 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 4.558 0.774 -0.106 0.00 0.00 +0.200 C BRANCH 14 17 ATOM 15 C LIG 1 5.456 4.194 1.253 0.00 0.00 +0.109 C ATOM 16 C LIG 1 4.981 3.167 0.261 0.00 0.00 +0.210 C ATOM 17 N LIG 1 4.950 1.885 0.739 0.00 0.00 -0.307 N ATOM 18 H LIG 1 5.297 1.657 1.667 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 4.652 3.464 -0.883 0.00 0.00 -0.276 OA ENDBRANCH 14 17 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 20 ATOM 20 C LIG 1 0.036 -0.868 -0.358 0.00 0.00 +0.163 C BRANCH 20 21 ATOM 21 C LIG 1 -0.491 -2.224 0.152 0.00 0.00 +0.231 C ATOM 22 O LIG 1 0.198 -3.007 0.806 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -1.790 -2.520 -0.134 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -2.432 -1.842 -0.527 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -2.175 -3.376 0.243 0.00 0.00 +0.145 HD ENDBRANCH 20 21 BRANCH 20 26 ATOM 26 C LIG 1 -0.395 0.275 0.572 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 -1.851 0.653 0.434 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -2.766 0.343 1.446 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.119 0.669 1.302 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -4.592 1.315 0.149 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -3.663 1.629 -0.855 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.310 1.305 -0.716 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -6.017 1.657 0.000 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.741 1.266 -1.139 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -8.093 1.588 -1.280 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.746 2.309 -0.283 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.047 2.708 0.853 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.695 2.384 0.993 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 2 20 TORSDOF 9