REMARK Name = BDB012535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.070 -1.010 -0.304 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -1.211 -0.151 0.592 0.00 0.00 +0.159 C ATOM 3 C LIG 1 0.127 -0.560 0.117 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.084 -1.455 -0.910 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.393 -1.799 -1.252 0.00 0.00 +0.041 A ATOM 6 C LIG 1 2.223 -1.123 -0.358 0.00 0.00 +0.056 A ATOM 7 N LIG 1 1.419 -0.334 0.456 0.00 0.00 -0.338 N ATOM 8 C LIG 1 -1.283 -1.750 -1.237 0.00 0.00 +0.254 C ATOM 9 O LIG 1 -1.627 -2.525 -2.114 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -6.358 -2.343 -2.150 0.00 0.00 +0.152 C ATOM 11 N LIG 1 -5.624 -1.716 -1.060 0.00 0.00 -0.315 N ATOM 12 C LIG 1 -6.333 -1.165 0.009 0.00 0.00 +0.270 A ATOM 13 O LIG 1 -7.558 -1.177 0.098 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 -5.481 -0.552 1.074 0.00 0.00 +0.107 A ATOM 15 CL LIG 1 -6.253 0.103 2.468 0.00 0.00 -0.078 Cl ATOM 16 C LIG 1 -4.146 -0.533 0.952 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -3.463 -1.086 -0.208 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -4.240 -1.661 -1.149 0.00 0.00 +0.112 A ENDBRANCH 1 17 BRANCH 6 19 ATOM 19 C LIG 1 3.632 -1.148 -0.200 0.00 0.00 +0.063 A ATOM 20 C LIG 1 4.519 -0.237 -1.015 0.00 0.00 +0.260 A ATOM 21 O LIG 1 4.033 0.571 -1.804 0.00 0.00 -0.267 OA ATOM 22 N LIG 1 5.895 -0.373 -0.793 0.00 0.00 -0.318 N ATOM 23 C LIG 1 6.820 0.469 -1.535 0.00 0.00 +0.152 C ATOM 24 C LIG 1 6.415 -1.286 0.107 0.00 0.00 +0.089 A ATOM 25 C LIG 1 5.619 -2.092 0.817 0.00 0.00 +0.019 A ATOM 26 C LIG 1 4.190 -2.025 0.651 0.00 0.00 +0.017 A ENDBRANCH 6 19 BRANCH 2 27 ATOM 27 C LIG 1 -1.496 1.332 0.417 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -1.805 2.124 1.538 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -2.079 3.487 1.396 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -2.045 4.074 0.134 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -2.379 5.752 -0.038 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -1.738 3.310 -0.989 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -1.466 1.946 -0.849 0.00 0.00 +0.007 A ENDBRANCH 2 27 BRANCH 7 34 ATOM 34 C LIG 1 1.852 0.433 1.647 0.00 0.00 +0.088 C ATOM 35 C LIG 1 1.574 1.909 1.812 0.00 0.00 +0.027 C ATOM 36 C LIG 1 2.980 1.441 1.625 0.00 0.00 +0.027 C ENDBRANCH 7 34 TORSDOF 4