REMARK Name = BDB006965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.682 -0.484 -1.848 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.711 -0.210 -0.966 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.746 0.331 0.333 0.00 0.00 +0.042 A ATOM 4 C LIG 1 3.073 0.443 0.771 0.00 0.00 -0.014 A ATOM 5 C LIG 1 3.390 0.972 2.022 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.355 1.386 2.856 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.023 1.264 2.435 0.00 0.00 +0.054 A ATOM 8 C LIG 1 4.063 -0.061 -0.269 0.00 0.00 +0.036 C ATOM 9 C LIG 1 4.792 -1.294 0.306 0.00 0.00 +0.023 C ATOM 10 C LIG 1 0.719 0.732 1.171 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.088 -0.532 -1.384 0.00 0.00 +0.129 C ATOM 12 O LIG 1 0.922 -1.044 -2.929 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 4.990 1.058 -0.771 0.00 0.00 -0.036 A ATOM 14 C LIG 1 6.390 0.947 -0.748 0.00 0.00 +0.004 A ATOM 15 C LIG 1 7.207 1.984 -1.212 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.642 3.154 -1.709 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.259 3.290 -1.743 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.443 2.255 -1.279 0.00 0.00 +0.004 A ENDBRANCH 8 13 BRANCH 7 19 ATOM 19 C LIG 1 -0.040 1.684 3.301 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -0.900 2.019 4.006 0.00 0.00 -0.191 NA ENDBRANCH 7 19 BRANCH 1 21 ATOM 21 C LIG 1 -0.768 -0.109 -1.533 0.00 0.00 +0.181 C BRANCH 21 28 ATOM 22 C LIG 1 -2.237 -4.100 -2.978 0.00 0.00 +0.025 C ATOM 23 C LIG 1 -2.300 -2.651 -2.493 0.00 0.00 +0.065 C ATOM 24 N LIG 1 -3.712 -2.302 -2.221 0.00 0.00 -0.310 NA ATOM 25 H LIG 1 -4.090 -2.983 -1.563 0.00 0.00 +0.122 HD ATOM 26 C LIG 1 -3.796 -0.958 -1.614 0.00 0.00 +0.109 C ATOM 27 C LIG 1 -2.880 -0.793 -0.378 0.00 0.00 +0.158 C ATOM 28 N LIG 1 -1.427 -1.101 -0.639 0.00 0.00 -0.280 NA ATOM 29 C LIG 1 -1.390 -2.464 -1.242 0.00 0.00 +0.104 C BRANCH 27 30 ATOM 30 C LIG 1 -3.135 0.585 0.280 0.00 0.00 +0.234 C ATOM 31 N LIG 1 -3.967 0.634 1.393 0.00 0.00 -0.296 N ATOM 32 C LIG 1 -4.775 -0.471 1.919 0.00 0.00 +0.136 C ATOM 33 C LIG 1 -5.987 0.048 2.701 0.00 0.00 +0.179 C ATOM 34 O LIG 1 -5.644 0.903 3.797 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -4.426 1.641 3.603 0.00 0.00 +0.179 C ATOM 36 C LIG 1 -4.093 1.897 2.130 0.00 0.00 +0.136 C ATOM 37 O LIG 1 -2.643 1.622 -0.172 0.00 0.00 -0.274 OA ENDBRANCH 27 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 5