REMARK Name = BDB062533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.480 -1.163 0.917 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.310 -0.555 -0.322 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.030 -0.172 -0.747 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.107 -0.378 0.052 0.00 0.00 +0.033 A ATOM 5 C LIG 1 0.915 -0.983 1.294 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.362 -1.365 1.725 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.357 0.022 -0.448 0.00 0.00 -0.299 N ATOM 8 H LIG 1 2.316 0.498 -1.337 0.00 0.00 +0.154 HD BRANCH 7 9 ATOM 9 C LIG 1 3.663 -0.081 0.054 0.00 0.00 +0.135 A ATOM 10 C LIG 1 4.755 0.457 -0.661 0.00 0.00 +0.059 A ATOM 11 C LIG 1 6.014 0.308 -0.100 0.00 0.00 +0.143 A ATOM 12 N LIG 1 6.930 0.890 -0.933 0.00 0.00 -0.346 N ATOM 13 H LIG 1 7.922 0.914 -0.745 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 6.293 1.415 -2.027 0.00 0.00 +0.085 A ATOM 15 N LIG 1 6.319 -0.295 1.056 0.00 0.00 -0.218 NA ATOM 16 C LIG 1 5.217 -0.772 1.656 0.00 0.00 +0.225 A ATOM 17 C LIG 1 4.944 1.163 -1.888 0.00 0.00 +0.032 A ATOM 18 N LIG 1 3.941 -0.700 1.230 0.00 0.00 -0.220 NA ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 O LIG 1 -2.665 -1.572 1.461 0.00 0.00 -0.487 OA BRANCH 19 20 ATOM 20 C LIG 1 -3.787 -1.727 0.588 0.00 0.00 +0.264 C BRANCH 20 24 ATOM 21 C LIG 1 -6.168 1.841 0.065 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.135 0.865 -0.929 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -5.359 -0.283 -0.757 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -4.598 -0.462 0.409 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -4.653 0.520 1.408 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -5.429 1.668 1.234 0.00 0.00 +0.000 A ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 5