REMARK Name = BDB001943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.042 0.208 0.645 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -2.115 0.454 1.545 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -2.955 -0.650 1.555 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -2.354 -1.597 0.758 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -2.724 -2.529 0.591 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -1.223 -1.081 0.182 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.270 3.190 0.076 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -0.009 2.395 0.017 0.00 0.00 -0.006 A ATOM 9 C LIG 1 0.097 1.038 0.266 0.00 0.00 +0.080 A ATOM 10 N LIG 1 1.266 0.362 0.172 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 2.371 1.049 -0.143 0.00 0.00 +0.220 A ATOM 12 N LIG 1 2.367 2.365 -0.380 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 1.187 3.005 -0.293 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 3.528 0.280 -0.232 0.00 0.00 -0.283 N ATOM 15 H LIG 1 3.289 -0.660 0.045 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 4.896 0.580 -0.308 0.00 0.00 +0.037 A ATOM 17 C LIG 1 5.839 -0.445 -0.555 0.00 0.00 -0.023 A ATOM 18 C LIG 1 5.467 -1.904 -0.715 0.00 0.00 +0.037 C ATOM 19 C LIG 1 6.245 -2.559 -1.860 0.00 0.00 +0.005 C ATOM 20 C LIG 1 7.746 -2.252 -1.873 0.00 0.00 +0.005 C ATOM 21 C LIG 1 8.200 -1.280 -0.788 0.00 0.00 +0.035 C ATOM 22 C LIG 1 7.222 -0.146 -0.622 0.00 0.00 -0.042 A ATOM 23 C LIG 1 7.666 1.169 -0.486 0.00 0.00 +0.004 A ATOM 24 C LIG 1 6.742 2.188 -0.302 0.00 0.00 +0.002 A ATOM 25 C LIG 1 5.378 1.895 -0.222 0.00 0.00 +0.023 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 -4.143 -0.841 2.347 0.00 0.00 +0.261 C ATOM 27 N LIG 1 -5.179 -1.614 1.886 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -5.867 -1.632 2.629 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -4.273 -0.353 3.470 0.00 0.00 -0.269 OA BRANCH 27 30 ATOM 30 CA LIG 1 -5.803 -1.591 0.557 0.00 0.00 +0.129 C BRANCH 30 31 ATOM 31 C LIG 1 -6.459 -0.250 0.276 0.00 0.00 -0.024 A ATOM 32 C LIG 1 -7.822 -0.066 0.568 0.00 0.00 +0.025 A ATOM 33 C LIG 1 -8.438 1.164 0.334 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -10.110 1.361 0.691 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -7.712 2.232 -0.185 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -6.357 2.069 -0.468 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.734 0.839 -0.236 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 38 ATOM 38 C LIG 1 -4.976 -2.148 -0.622 0.00 0.00 +0.182 C BRANCH 38 39 ATOM 39 O LIG 1 -4.288 -3.352 -0.265 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -4.953 -3.979 0.074 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 30 38 ENDBRANCH 27 30 ENDBRANCH 3 26 TORSDOF 8