REMARK Name = BDB020591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.510 2.517 0.483 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.084 1.379 1.205 0.00 0.00 -0.016 A ATOM 3 C LIG 1 -0.777 0.142 1.286 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.330 1.525 1.742 0.00 0.00 +0.056 A ATOM 5 N LIG 1 1.972 2.788 1.600 0.00 0.00 -0.317 N ATOM 6 C LIG 1 1.382 3.884 0.965 0.00 0.00 +0.047 A ATOM 7 C LIG 1 2.236 4.964 1.030 0.00 0.00 +0.027 A ATOM 8 C LIG 1 3.402 4.536 1.694 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.224 3.208 2.015 0.00 0.00 +0.091 A ATOM 10 C LIG 1 0.101 3.710 0.383 0.00 0.00 +0.039 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 -1.606 1.977 -1.555 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -0.671 1.720 -1.855 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -1.793 2.395 -0.261 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -2.876 2.610 0.265 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 -2.696 1.503 -2.376 0.00 0.00 +0.145 C BRANCH 15 22 ATOM 16 C LIG 1 -2.670 -4.299 -1.968 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -2.773 -2.807 -2.025 0.00 0.00 +0.016 A ATOM 18 N LIG 1 -1.782 -2.139 -2.699 0.00 0.00 -0.326 N ATOM 19 H LIG 1 -1.010 -2.657 -3.108 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 -1.716 -0.777 -2.832 0.00 0.00 +0.254 A ATOM 21 O LIG 1 -0.784 -0.235 -3.422 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 -2.820 0.017 -2.196 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -3.796 -0.648 -1.538 0.00 0.00 -0.039 A ATOM 24 C LIG 1 -4.957 -0.014 -0.823 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -3.762 -2.103 -1.457 0.00 0.00 +0.024 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 2.057 0.395 2.459 0.00 0.00 +0.163 C ATOM 27 C LIG 1 2.199 0.625 3.964 0.00 0.00 +0.044 C BRANCH 26 28 ATOM 28 O LIG 1 3.346 0.206 1.861 0.00 0.00 -0.366 OA BRANCH 28 29 ATOM 29 C LIG 1 3.691 -1.161 1.639 0.00 0.00 +0.196 C BRANCH 29 30 ATOM 30 C LIG 1 2.923 -1.771 0.487 0.00 0.00 -0.022 A ATOM 31 C LIG 1 2.455 -3.092 0.572 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.746 -3.659 -0.489 0.00 0.00 +0.038 A ATOM 33 C LIG 1 1.512 -2.912 -1.636 0.00 0.00 +0.123 A ATOM 34 F LIG 1 0.819 -3.456 -2.646 0.00 0.00 -0.205 F ATOM 35 C LIG 1 1.976 -1.607 -1.747 0.00 0.00 +0.038 A ATOM 36 C LIG 1 2.688 -1.039 -0.689 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7