REMARK Name = BDB035720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.025 -0.146 -0.751 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.109 0.067 -1.540 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.240 0.556 -2.646 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.261 -0.430 -0.777 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.805 -0.920 0.439 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.703 -1.444 1.347 0.00 0.00 +0.047 A ATOM 7 C LIG 1 4.062 -1.469 1.013 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.520 -0.975 -0.232 0.00 0.00 -0.031 A ATOM 9 CL LIG 1 2.180 -2.055 2.863 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 3.597 -0.439 -1.140 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.327 -0.764 0.525 0.00 0.00 +0.151 C ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -3.777 0.228 -0.457 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.417 -0.082 -0.191 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.367 0.179 -1.090 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -1.699 0.765 -2.312 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.023 1.079 -2.619 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.042 0.814 -1.705 0.00 0.00 +0.005 A BRANCH 12 20 ATOM 18 C LIG 1 -6.396 -1.475 -0.112 0.00 0.00 -0.009 C ATOM 19 C LIG 1 -5.218 -1.614 0.884 0.00 0.00 +0.023 C ATOM 20 C LIG 1 -4.913 -0.087 0.645 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -6.432 0.026 0.271 0.00 0.00 +0.023 C BRANCH 20 22 ATOM 22 C LIG 1 -4.577 0.688 1.982 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.576 2.042 2.178 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.885 3.070 1.225 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -4.186 2.234 3.467 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -3.952 1.073 4.033 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -4.190 0.097 3.094 0.00 0.00 -0.134 NA ENDBRANCH 20 22 BRANCH 18 29 ATOM 28 C LIG 1 -8.766 -1.960 -0.744 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -7.630 -2.308 0.203 0.00 0.00 +0.000 C ENDBRANCH 18 29 ENDBRANCH 12 20 ENDBRANCH 1 14 BRANCH 8 30 ATOM 30 C LIG 1 5.997 -0.997 -0.558 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 6.695 0.045 0.195 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 6.176 0.918 0.095 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 8.125 0.146 -0.165 0.00 0.00 +0.017 C ATOM 34 C LIG 1 8.697 1.380 0.593 0.00 0.00 +0.022 C ATOM 35 C LIG 1 8.370 2.251 -0.636 0.00 0.00 +0.004 C ATOM 36 C LIG 1 8.295 0.961 -1.476 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.925 -1.129 0.013 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7