REMARK Name = BDB053374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.214 -0.623 2.010 0.00 0.00 +0.221 C ATOM 2 N LIG 1 0.538 -1.777 1.294 0.00 0.00 -0.294 N ATOM 3 O LIG 1 1.057 0.236 2.283 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -1.788 0.905 1.881 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -1.240 -0.431 2.439 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -1.310 -0.417 3.969 0.00 0.00 +0.094 C ATOM 7 N LIG 1 -2.661 -0.215 4.504 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -3.001 -1.063 4.955 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -3.636 0.261 3.528 0.00 0.00 +0.081 C ATOM 10 C LIG 1 -3.067 1.353 2.625 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 -2.513 0.559 -3.836 0.00 0.00 +0.152 C ATOM 12 N LIG 1 -2.309 0.678 -2.402 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -1.471 1.679 -1.917 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -0.877 2.499 -2.613 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -1.304 1.721 -0.438 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -1.974 0.878 0.368 0.00 0.00 -0.037 A ATOM 17 C LIG 1 -2.884 -0.082 -0.229 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.013 -0.161 -1.559 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 -0.381 -2.863 1.053 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.024 -4.310 1.209 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.923 -3.699 2.189 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 1.838 -1.821 0.611 0.00 0.00 +0.144 C BRANCH 22 23 ATOM 23 C LIG 1 1.844 -1.036 -0.689 0.00 0.00 -0.010 A ATOM 24 C LIG 1 1.422 -1.570 -1.922 0.00 0.00 +0.064 A ATOM 25 CL LIG 1 0.960 -3.238 -2.047 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 1.394 -0.753 -3.066 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 0.859 -1.329 -4.609 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 1.800 0.582 -2.994 0.00 0.00 +0.025 A ATOM 29 C LIG 1 2.247 1.125 -1.787 0.00 0.00 -0.046 A ATOM 30 C LIG 1 2.261 0.311 -0.647 0.00 0.00 +0.010 A BRANCH 29 31 ATOM 31 C LIG 1 2.675 2.570 -1.700 0.00 0.00 +0.036 C BRANCH 31 32 ATOM 32 C LIG 1 3.920 2.904 -2.534 0.00 0.00 +0.019 C BRANCH 32 33 ATOM 33 C LIG 1 5.176 2.115 -2.154 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 C LIG 1 5.624 2.404 -0.785 0.00 0.00 +0.063 C ATOM 35 N LIG 1 5.977 2.630 0.296 0.00 0.00 -0.197 NA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9