REMARK Name = BDB024089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.465 -0.226 -1.702 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.280 0.106 -3.176 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.445 -0.897 -4.144 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.276 -0.613 -5.500 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.951 0.679 -5.907 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.803 1.690 -4.960 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.973 1.409 -3.603 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.340 0.409 -0.827 0.00 0.00 +0.239 C ATOM 9 N LIG 1 0.892 -0.202 -1.021 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.942 -0.881 -1.771 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.568 1.350 -0.067 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.109 0.087 -0.371 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.239 0.999 0.675 0.00 0.00 +0.024 A ATOM 14 C LIG 1 3.488 1.226 1.271 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.628 0.542 0.835 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.494 -0.374 -0.214 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.246 -0.600 -0.809 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 5.916 0.793 1.460 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.951 -0.116 1.555 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.959 0.516 2.224 0.00 0.00 -0.274 N ATOM 21 C LIG 1 9.248 -0.030 2.571 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.660 1.779 2.575 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.418 1.944 2.113 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.803 0.221 -1.252 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.724 1.221 -1.047 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.233 -0.476 -0.034 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -5.718 -0.086 -0.517 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.579 0.072 0.499 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.924 -0.578 1.833 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.313 -1.925 1.920 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.612 -2.501 3.157 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.519 -1.738 4.318 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -5.885 -2.450 5.841 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -5.128 -0.404 4.253 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.830 0.173 3.015 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8