REMARK Name = BDB028039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.797 -0.642 -0.759 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.188 -0.056 -1.894 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.789 0.058 -2.008 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.020 -0.433 -0.956 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.465 -0.455 -0.789 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.657 -1.089 0.508 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.570 -1.429 1.092 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.831 -1.966 2.153 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.621 -1.008 0.156 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.992 -1.126 0.284 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.949 -1.319 1.057 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.107 -0.917 0.364 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.422 -1.123 0.852 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.527 -1.747 2.107 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.399 -2.155 2.816 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.123 -1.943 2.293 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.733 -0.616 0.022 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -5.740 -0.947 -1.505 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.654 -2.053 -1.298 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -6.966 -1.570 0.028 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.992 0.845 0.435 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.149 1.525 -0.208 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.347 1.813 0.396 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -8.745 1.527 1.748 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -9.101 2.449 -0.540 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.414 2.566 -1.650 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.182 1.997 -1.438 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.141 0.686 -3.213 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.027 1.130 -4.144 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.313 -0.179 -3.859 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.371 1.758 -2.881 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.307 -0.754 -0.666 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 9.695 -0.303 0.153 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.279 0.102 -0.255 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.250 -0.418 0.765 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.864 -0.017 0.476 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.766 1.444 0.344 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.733 2.046 -0.677 0.00 0.00 +0.016 C ATOM 39 C LIG 1 8.172 1.625 -0.393 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7