REMARK Name = BDB001935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.370 -0.718 0.894 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.238 -0.244 -0.300 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -1.552 0.106 -0.027 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -1.724 -0.084 1.327 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -2.552 0.172 1.848 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.574 -0.577 1.891 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.955 -0.630 0.710 0.00 0.00 +0.220 A ATOM 8 N LIG 1 2.660 -0.326 0.556 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 1.743 -1.156 1.102 0.00 0.00 +0.080 A ATOM 10 C LIG 1 2.078 -2.317 1.773 0.00 0.00 -0.006 A ATOM 11 C LIG 1 1.105 -3.283 2.361 0.00 0.00 +0.047 C ATOM 12 C LIG 1 3.435 -2.530 1.883 0.00 0.00 +0.120 A ATOM 13 N LIG 1 4.374 -1.715 1.370 0.00 0.00 -0.222 NA BRANCH 7 14 ATOM 14 N LIG 1 4.834 0.276 0.122 0.00 0.00 -0.283 N ATOM 15 H LIG 1 4.285 1.005 -0.304 0.00 0.00 +0.155 HD BRANCH 14 18 ATOM 16 C LIG 1 5.968 2.486 -1.388 0.00 0.00 +0.045 C ATOM 17 C LIG 1 6.812 1.458 -0.680 0.00 0.00 -0.029 A ATOM 18 C LIG 1 6.229 0.394 0.052 0.00 0.00 +0.036 A ATOM 19 C LIG 1 7.095 -0.521 0.670 0.00 0.00 +0.023 A ATOM 20 C LIG 1 8.484 -0.395 0.583 0.00 0.00 +0.002 A ATOM 21 C LIG 1 9.044 0.655 -0.132 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.212 1.577 -0.761 0.00 0.00 +0.005 A ENDBRANCH 14 18 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 -2.531 0.632 -0.956 0.00 0.00 +0.261 C ATOM 24 N LIG 1 -3.844 0.493 -0.564 0.00 0.00 -0.301 N ATOM 25 H LIG 1 -4.063 0.151 0.357 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -2.229 1.151 -2.025 0.00 0.00 -0.269 OA BRANCH 24 27 ATOM 27 CA LIG 1 -4.915 1.218 -1.245 0.00 0.00 +0.129 C BRANCH 27 28 ATOM 28 C LIG 1 -6.186 0.369 -1.271 0.00 0.00 -0.024 A ATOM 29 C LIG 1 -7.473 0.902 -1.087 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -8.603 0.081 -1.151 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -10.164 0.764 -0.902 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -8.482 -1.279 -1.417 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.220 -1.822 -1.635 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -6.088 -1.006 -1.571 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 35 ATOM 35 C LIG 1 -5.036 2.611 -0.576 0.00 0.00 +0.182 C BRANCH 35 36 ATOM 36 O LIG 1 -5.262 2.494 0.837 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -6.163 2.149 0.964 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 24 27 ENDBRANCH 3 23 TORSDOF 8