REMARK Name = BDB039961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.053 0.005 -1.564 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.042 0.707 -2.077 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.102 1.680 -2.809 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.250 0.065 -1.541 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.574 0.409 -1.750 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.564 -0.339 -1.098 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.176 -1.426 -0.276 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.823 -1.767 -0.073 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.867 -0.991 -0.723 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.376 -1.081 -0.690 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.821 -0.298 -1.456 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.438 -0.488 -1.207 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.426 0.259 -1.842 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.823 1.246 -2.748 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.173 1.471 -3.018 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.152 0.709 -2.383 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.970 -1.164 -0.675 0.00 0.00 +0.080 C ATOM 18 C LIG 1 6.134 -1.691 -1.564 0.00 0.00 +0.177 C ATOM 19 O LIG 1 5.581 -3.027 -1.572 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.679 -2.681 -0.488 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.415 -0.355 0.553 0.00 0.00 +0.248 C ATOM 22 F LIG 1 4.310 -0.147 1.342 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 6.988 1.294 2.638 0.00 0.00 +0.151 C ATOM 24 N LIG 1 7.224 -0.087 2.305 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.522 -0.869 1.411 0.00 0.00 +0.168 A ATOM 26 N LIG 1 6.989 -2.101 1.488 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 8.021 -2.116 2.395 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.163 -0.894 2.863 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.432 -2.885 0.859 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.371 -3.606 0.404 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.067 -2.418 2.084 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.430 -3.783 1.078 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -6.033 -0.002 -1.292 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.696 0.913 -0.360 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -6.513 0.636 1.076 0.00 0.00 +0.095 C ATOM 36 C LIG 1 -6.428 2.176 1.303 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -7.757 2.833 1.676 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -6.059 2.234 -0.211 0.00 0.00 +0.095 C BRANCH 36 39 ATOM 39 C LIG 1 -5.300 2.611 2.223 0.00 0.00 +0.222 C ATOM 40 F LIG 1 -5.096 3.944 2.045 0.00 0.00 -0.248 F ENDBRANCH 36 39 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8