REMARK Name = BDB009234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.923 1.366 -0.074 0.00 0.00 +0.069 A ATOM 2 C LIG 1 1.694 2.734 -0.261 0.00 0.00 +0.145 A ATOM 3 F LIG 1 2.488 3.425 -1.096 0.00 0.00 -0.204 F ATOM 4 C LIG 1 0.665 3.398 0.394 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.166 2.689 1.259 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.032 1.315 1.465 0.00 0.00 -0.040 A ATOM 7 C LIG 1 1.091 0.665 0.801 0.00 0.00 +0.030 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.381 -0.533 -0.818 0.00 0.00 +0.248 C ATOM 9 N LIG 1 2.994 0.791 -0.793 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.509 1.450 -1.368 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.835 -1.458 -0.213 0.00 0.00 -0.272 OA BRANCH 8 13 ATOM 12 C LIG 1 5.851 -0.096 -1.196 0.00 0.00 +0.051 C ATOM 13 C LIG 1 4.619 -0.838 -1.707 0.00 0.00 +0.136 C ATOM 14 C LIG 1 4.336 -0.503 -3.169 0.00 0.00 +0.051 C BRANCH 13 15 ATOM 15 O LIG 1 4.915 -2.239 -1.647 0.00 0.00 -0.380 OA ATOM 16 H LIG 1 4.258 -2.630 -1.034 0.00 0.00 +0.211 HD ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 1 9 BRANCH 6 17 ATOM 17 C LIG 1 -0.857 0.542 2.416 0.00 0.00 +0.092 C BRANCH 17 18 ATOM 18 C LIG 1 -2.336 0.603 2.046 0.00 0.00 +0.069 A ATOM 19 C LIG 1 -2.903 -0.398 1.089 0.00 0.00 -0.016 A ATOM 20 C LIG 1 -2.031 -1.449 0.461 0.00 0.00 +0.037 C ATOM 21 C LIG 1 -2.702 -2.184 -0.704 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.150 -2.528 -0.380 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.955 -1.264 -0.069 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -4.220 -0.308 0.830 0.00 0.00 +0.023 A ATOM 25 C LIG 1 -5.030 0.768 1.453 0.00 0.00 +0.268 A ATOM 26 O LIG 1 -6.228 0.892 1.223 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 -4.358 1.612 2.294 0.00 0.00 -0.243 N ATOM 28 H LIG 1 -4.895 2.351 2.734 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 -3.037 1.546 2.606 0.00 0.00 -0.175 NA ENDBRANCH 17 18 ENDBRANCH 6 17 TORSDOF 5