REMARK Name = BDB005438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.117 1.102 0.251 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.185 0.381 -0.514 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.037 0.722 -0.017 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.482 0.438 -0.209 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.059 1.475 0.725 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.057 2.199 1.430 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.165 3.086 2.260 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.188 1.688 0.914 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.504 1.941 1.080 0.00 0.00 -0.222 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -1.874 -0.984 0.203 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -2.483 -1.910 -0.680 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.816 -1.610 -2.119 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -2.847 -3.185 -0.202 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -2.592 -3.561 1.115 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -3.036 -5.130 1.660 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -1.979 -2.673 1.985 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -1.628 -1.400 1.534 0.00 0.00 +0.007 A ENDBRANCH 4 10 BRANCH 5 18 ATOM 18 C LIG 1 -3.463 1.707 0.856 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -4.370 1.207 -0.086 0.00 0.00 +0.043 A ATOM 20 C LIG 1 -5.745 1.422 0.047 0.00 0.00 +0.043 A ATOM 21 CL LIG 1 -6.821 0.788 -1.140 0.00 0.00 -0.083 Cl ATOM 22 C LIG 1 -6.251 2.145 1.119 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.369 2.659 2.062 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -3.991 2.442 1.929 0.00 0.00 +0.023 A ENDBRANCH 5 18 BRANCH 1 26 ATOM 25 C LIG 1 4.306 -0.158 0.323 0.00 0.00 +0.131 A ATOM 26 C LIG 1 3.579 1.033 0.126 0.00 0.00 +0.060 A ATOM 27 C LIG 1 4.271 2.228 -0.138 0.00 0.00 +0.034 A ATOM 28 C LIG 1 5.663 2.238 -0.246 0.00 0.00 +0.053 A ATOM 29 C LIG 1 6.375 1.048 -0.085 0.00 0.00 +0.022 A ATOM 30 C LIG 1 5.700 -0.144 0.199 0.00 0.00 +0.047 A BRANCH 25 32 ATOM 31 C LIG 1 4.269 -2.333 1.285 0.00 0.00 +0.277 C ATOM 32 O LIG 1 3.582 -1.288 0.604 0.00 0.00 -0.494 OA ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 6.357 3.460 -0.528 0.00 0.00 +0.099 C ATOM 34 N LIG 1 6.931 4.440 -0.770 0.00 0.00 -0.191 NA ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 35 ATOM 35 C LIG 1 1.499 -0.425 -1.689 0.00 0.00 +0.083 C ATOM 36 C LIG 1 1.106 -1.891 -1.542 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.932 0.191 -2.969 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6