REMARK Name = BDB021191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.121 -0.284 0.031 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.428 -1.497 -0.230 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -0.947 -1.463 -0.108 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.409 -2.723 -0.414 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.281 -3.459 -0.698 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.658 -0.298 0.252 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.002 0.811 0.466 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.853 -2.694 -0.585 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.372 0.788 0.358 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.370 0.186 -0.194 0.00 0.00 +0.038 A ATOM 11 C LIG 1 4.808 -0.385 0.952 0.00 0.00 +0.033 A ATOM 12 C LIG 1 3.422 -0.537 1.041 0.00 0.00 +0.050 A ATOM 13 CL LIG 1 2.783 -1.206 2.504 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 2.588 -0.139 -0.019 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.171 0.406 -1.177 0.00 0.00 +0.011 A ATOM 16 C LIG 1 4.556 0.561 -1.266 0.00 0.00 +0.014 A BRANCH 10 19 ATOM 17 C LIG 1 9.009 0.905 0.628 0.00 0.00 +0.132 C ATOM 18 N LIG 1 7.559 0.930 0.705 0.00 0.00 -0.304 N ATOM 19 C LIG 1 6.838 0.331 -0.326 0.00 0.00 +0.246 C ATOM 20 O LIG 1 7.357 -0.107 -1.351 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 6.989 1.824 1.704 0.00 0.00 +0.132 C ENDBRANCH 10 19 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 -0.224 -4.839 -1.077 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -0.223 -5.959 -1.382 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.031 -0.367 0.354 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.433 -1.279 0.544 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.791 0.717 0.954 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.255 0.489 0.715 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.837 0.647 -0.540 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.219 0.994 -1.842 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.487 1.269 -2.651 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.599 0.580 -2.034 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.189 0.398 -0.739 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.020 -0.017 0.281 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.462 -0.175 1.550 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.098 0.076 1.755 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.594 -0.107 2.984 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6