REMARK Name = BDB024102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.012 -2.396 -0.977 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.021 -3.180 -0.150 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.338 -2.845 1.176 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.301 -3.565 1.886 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.969 -4.626 1.280 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.672 -4.972 -0.035 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.707 -4.255 -0.745 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.181 -1.751 -0.205 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.689 -0.662 -0.896 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.178 -0.429 -1.741 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.618 -2.216 0.843 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.757 0.147 -0.512 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.437 -0.097 0.618 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -4.465 0.728 0.934 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.867 1.817 0.168 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.145 2.052 -1.002 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.082 1.212 -1.346 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.984 2.650 0.572 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -6.195 3.955 0.179 0.00 0.00 +0.113 A ATOM 20 N LIG 1 -7.343 4.365 0.796 0.00 0.00 -0.284 N ATOM 21 H LIG 1 -7.798 5.271 0.740 0.00 0.00 +0.188 HD ATOM 22 N LIG 1 -7.902 3.420 1.565 0.00 0.00 -0.182 NA ATOM 23 C LIG 1 -7.076 2.379 1.433 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 0.657 -1.411 -1.908 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 1.266 -1.944 -2.529 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 1.458 -0.378 -1.222 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 2.974 -0.608 -1.341 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 5.173 2.454 0.765 0.00 0.00 +0.052 A ATOM 29 C LIG 1 4.833 2.634 -0.580 0.00 0.00 +0.019 A ATOM 30 C LIG 1 4.126 1.642 -1.264 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.755 0.459 -0.612 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.094 0.286 0.737 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.801 1.278 1.422 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 6.486 4.299 2.030 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 5.899 3.472 1.466 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9