REMARK Name = BDB063807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.832 -0.158 0.971 0.00 0.00 +0.032 A ATOM 2 N LIG 1 -1.589 -0.735 -0.052 0.00 0.00 -0.327 N ATOM 3 C LIG 1 -2.744 -0.170 -0.557 0.00 0.00 +0.137 A ATOM 4 N LIG 1 -3.337 -0.786 -1.550 0.00 0.00 -0.265 NA ATOM 5 C LIG 1 -2.497 -1.999 -1.761 0.00 0.00 +0.165 C ATOM 6 C LIG 1 -3.246 1.090 0.024 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -2.488 1.661 1.060 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -2.927 2.857 1.635 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.102 3.466 1.180 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.845 2.886 0.149 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.418 1.694 -0.435 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.228 -1.839 -0.911 0.00 0.00 +0.147 C ATOM 13 C LIG 1 -1.254 1.006 1.522 0.00 0.00 +0.031 A ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 0.418 -0.848 1.432 0.00 0.00 +0.036 C ATOM 15 C LIG 1 0.276 -2.234 2.047 0.00 0.00 +0.019 C ATOM 16 C LIG 1 0.573 -1.073 2.937 0.00 0.00 +0.019 C BRANCH 14 20 ATOM 17 C LIG 1 4.040 0.223 -0.771 0.00 0.00 +0.120 A ATOM 18 C LIG 1 3.433 -1.012 -0.978 0.00 0.00 +0.046 A ATOM 19 C LIG 1 2.272 -1.354 -0.271 0.00 0.00 +0.008 A ATOM 20 C LIG 1 1.681 -0.479 0.657 0.00 0.00 -0.035 A ATOM 21 C LIG 1 2.316 0.760 0.850 0.00 0.00 +0.008 A ATOM 22 C LIG 1 3.475 1.106 0.147 0.00 0.00 +0.046 A BRANCH 17 24 ATOM 23 C LIG 1 5.766 -0.174 -2.356 0.00 0.00 +0.277 C ATOM 24 O LIG 1 5.169 0.682 -1.389 0.00 0.00 -0.495 OA ENDBRANCH 17 24 ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 3