REMARK Name = BDB048170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.452 -0.327 -0.009 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.552 0.969 0.554 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.615 1.622 0.970 0.00 0.00 +0.026 A ATOM 4 C LIG 1 1.860 1.004 0.829 0.00 0.00 +0.017 A ATOM 5 C LIG 1 1.956 -0.278 0.268 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.793 -0.942 -0.150 0.00 0.00 +0.040 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.834 1.561 0.662 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.249 1.887 2.049 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -2.440 3.405 2.266 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -3.415 4.018 1.339 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -3.256 5.469 1.308 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.333 3.424 -0.015 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.019 2.666 -0.309 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 1 15 ATOM 14 C LIG 1 -1.900 -2.145 -0.957 0.00 0.00 +0.250 C ATOM 15 N LIG 1 -1.677 -0.918 -0.382 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -2.468 -0.308 -0.180 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -1.056 -2.979 -1.262 0.00 0.00 -0.270 OA BRANCH 14 22 ATOM 18 C LIG 1 -6.695 -1.222 -2.451 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -5.625 -2.086 -1.846 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -4.284 -1.666 -1.747 0.00 0.00 +0.059 A ATOM 21 CL LIG 1 -3.838 -0.123 -2.404 0.00 0.00 -0.082 Cl ATOM 22 C LIG 1 -3.329 -2.506 -1.149 0.00 0.00 +0.057 A ATOM 23 C LIG 1 -3.700 -3.783 -0.692 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -5.008 -4.239 -0.834 0.00 0.00 +0.061 A ATOM 25 C LIG 1 -5.961 -3.360 -1.367 0.00 0.00 +0.148 A ATOM 26 F LIG 1 -7.237 -3.775 -1.443 0.00 0.00 -0.203 F BRANCH 24 27 ATOM 27 N LIG 1 -5.394 -5.457 -0.254 0.00 0.00 -0.356 N ATOM 28 H LIG 1 -4.665 -6.164 -0.235 0.00 0.00 +0.142 HD ATOM 29 H LIG 1 -6.276 -5.809 -0.624 0.00 0.00 +0.142 HD ENDBRANCH 24 27 ENDBRANCH 14 22 ENDBRANCH 1 15 BRANCH 5 30 ATOM 30 C LIG 1 3.264 -0.971 0.101 0.00 0.00 +0.340 C ATOM 31 O LIG 1 3.385 -2.098 -0.350 0.00 0.00 -0.245 OA BRANCH 30 32 ATOM 32 O LIG 1 4.278 -0.171 0.518 0.00 0.00 -0.458 OA BRANCH 32 33 ATOM 33 C LIG 1 5.604 -0.720 0.404 0.00 0.00 +0.177 C ATOM 34 C LIG 1 6.493 0.008 1.422 0.00 0.00 +0.044 C ATOM 35 C LIG 1 7.975 0.027 1.043 0.00 0.00 +0.004 C ATOM 36 C LIG 1 8.350 -1.128 0.125 0.00 0.00 +0.000 C ATOM 37 C LIG 1 7.546 -1.103 -1.177 0.00 0.00 +0.004 C ATOM 38 C LIG 1 6.139 -0.527 -1.015 0.00 0.00 +0.044 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7