REMARK Name = BDB009153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.476 -0.663 -0.329 0.00 0.00 +0.079 A ATOM 2 C LIG 1 2.519 -1.734 -1.234 0.00 0.00 +0.145 A ATOM 3 F LIG 1 3.601 -1.951 -1.996 0.00 0.00 -0.204 F ATOM 4 C LIG 1 1.497 -2.678 -1.301 0.00 0.00 +0.040 A ATOM 5 C LIG 1 0.399 -2.581 -0.451 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.320 -1.535 0.475 0.00 0.00 -0.040 A ATOM 7 C LIG 1 1.371 -0.599 0.539 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.144 0.439 -2.547 0.00 0.00 -0.274 OA ATOM 9 C LIG 1 4.271 0.695 -1.363 0.00 0.00 +0.230 C ATOM 10 N LIG 1 3.518 0.307 -0.269 0.00 0.00 -0.207 N ATOM 11 C LIG 1 3.833 1.043 0.856 0.00 0.00 +0.230 C ATOM 12 O LIG 1 3.339 1.040 1.971 0.00 0.00 -0.274 OA ATOM 13 C LIG 1 4.978 1.938 0.540 0.00 0.00 +0.088 C ATOM 14 C LIG 1 6.317 1.386 0.130 0.00 0.00 +0.027 C ATOM 15 C LIG 1 5.284 1.694 -0.921 0.00 0.00 +0.088 C ENDBRANCH 1 10 BRANCH 6 16 ATOM 16 C LIG 1 -0.847 -1.434 1.435 0.00 0.00 +0.092 C BRANCH 16 17 ATOM 17 C LIG 1 -2.210 -1.487 0.750 0.00 0.00 +0.069 A ATOM 18 C LIG 1 -2.808 -0.234 0.191 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -2.072 1.074 0.268 0.00 0.00 +0.037 C ATOM 20 C LIG 1 -2.683 2.171 -0.611 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -4.203 2.175 -0.511 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.783 0.825 -0.938 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -4.024 -0.343 -0.371 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -4.693 -1.666 -0.448 0.00 0.00 +0.268 A ATOM 25 O LIG 1 -5.795 -1.805 -0.970 0.00 0.00 -0.266 OA ATOM 26 N LIG 1 -4.006 -2.716 0.097 0.00 0.00 -0.243 N ATOM 27 H LIG 1 -4.449 -3.628 0.059 0.00 0.00 +0.192 HD ATOM 28 N LIG 1 -2.789 -2.651 0.697 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 6 16 TORSDOF 3