REMARK Name = BDB061967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.556 0.384 0.445 0.00 0.00 +0.230 A ATOM 2 O LIG 1 2.118 1.010 1.588 0.00 0.00 -0.435 OA ATOM 3 C LIG 1 0.761 0.890 1.529 0.00 0.00 +0.156 A ATOM 4 C LIG 1 0.442 0.207 0.370 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.906 -0.047 0.075 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -1.887 0.404 0.973 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -1.507 1.096 2.139 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.164 1.358 2.449 0.00 0.00 +0.050 A ATOM 9 N LIG 1 1.592 -0.109 -0.311 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.706 0.216 -0.316 0.00 0.00 +0.041 A ATOM 11 N LIG 1 5.841 -0.344 -1.192 0.00 0.00 -0.259 NA ATOM 12 C LIG 1 4.517 -0.262 -0.903 0.00 0.00 +0.124 A ATOM 13 C LIG 1 3.994 0.352 0.230 0.00 0.00 +0.055 A ATOM 14 C LIG 1 4.912 0.916 1.119 0.00 0.00 +0.016 A ATOM 15 C LIG 1 6.279 0.848 0.849 0.00 0.00 +0.024 A BRANCH 10 17 ATOM 16 C LIG 1 8.791 -1.132 0.003 0.00 0.00 +0.010 C ATOM 17 C LIG 1 8.173 0.103 -0.635 0.00 0.00 +0.052 C ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 18 ATOM 18 N LIG 1 -3.273 0.208 0.780 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -3.872 0.580 1.508 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -3.891 -0.473 -0.250 0.00 0.00 +0.250 C ATOM 21 O LIG 1 -3.338 -1.017 -1.198 0.00 0.00 -0.270 OA BRANCH 20 22 ATOM 22 C LIG 1 -5.383 -0.497 -0.226 0.00 0.00 +0.057 A ATOM 23 C LIG 1 -6.165 -0.610 0.935 0.00 0.00 +0.053 A ATOM 24 CL LIG 1 -5.501 -0.759 2.523 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -7.565 -0.632 0.839 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -8.195 -0.552 -0.405 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -7.419 -0.452 -1.564 0.00 0.00 +0.127 A ATOM 28 C LIG 1 -6.021 -0.428 -1.481 0.00 0.00 +0.047 A BRANCH 27 29 ATOM 29 N LIG 1 -8.076 -0.369 -2.874 0.00 0.00 +0.056 N ATOM 30 O LIG 1 -7.368 -0.121 -3.859 0.00 0.00 -0.126 OA ATOM 31 O LIG 1 -9.303 -0.542 -2.911 0.00 0.00 -0.126 OA ENDBRANCH 27 29 ENDBRANCH 20 22 ENDBRANCH 6 18 TORSDOF 5