REMARK Name = BDB033677 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.271 -0.311 -0.940 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.151 -0.575 -1.737 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.128 -0.177 -1.330 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.316 0.496 -0.119 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -0.196 0.753 0.678 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.085 0.353 0.272 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.655 0.913 0.297 0.00 0.00 +0.049 A ATOM 8 N LIG 1 -2.899 2.075 0.990 0.00 0.00 -0.339 N ATOM 9 H LIG 1 -2.209 2.755 1.271 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -4.236 2.223 1.226 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -4.913 1.133 0.693 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -6.327 1.116 0.848 0.00 0.00 +0.134 A ATOM 13 N LIG 1 -6.869 2.188 1.503 0.00 0.00 -0.220 NA ATOM 14 C LIG 1 -6.082 3.174 1.968 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -4.754 3.274 1.872 0.00 0.00 -0.218 NA ATOM 16 C LIG 1 -3.895 0.323 0.098 0.00 0.00 +0.041 A BRANCH 12 17 ATOM 17 N LIG 1 -7.220 0.114 0.438 0.00 0.00 -0.310 N ATOM 18 C LIG 1 -8.518 0.659 -0.021 0.00 0.00 +0.134 C ATOM 19 C LIG 1 -9.532 -0.468 -0.263 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -9.015 -1.460 -1.162 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -7.838 -2.049 -0.595 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -6.731 -1.006 -0.372 0.00 0.00 +0.134 C ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 27 ATOM 23 O LIG 1 3.981 0.035 0.206 0.00 0.00 -0.252 OA ATOM 24 C LIG 1 3.768 -0.568 -0.840 0.00 0.00 +0.310 C ATOM 25 N LIG 1 4.756 -1.164 -1.602 0.00 0.00 -0.238 N ATOM 26 H LIG 1 4.529 -1.680 -2.437 0.00 0.00 +0.159 HD ATOM 27 N LIG 1 2.523 -0.747 -1.423 0.00 0.00 -0.269 N ATOM 28 H LIG 1 2.508 -1.216 -2.315 0.00 0.00 +0.156 HD BRANCH 25 29 ATOM 29 C LIG 1 6.081 -1.128 -1.256 0.00 0.00 +0.226 A ATOM 30 O LIG 1 6.931 -1.777 -2.093 0.00 0.00 -0.339 OA ATOM 31 N LIG 1 8.223 -1.659 -1.628 0.00 0.00 -0.076 NA ATOM 32 C LIG 1 8.159 -0.933 -0.499 0.00 0.00 +0.117 A ATOM 33 C LIG 1 6.808 -0.576 -0.232 0.00 0.00 +0.097 A BRANCH 32 34 ATOM 34 C LIG 1 9.355 -0.607 0.274 0.00 0.00 +0.022 A ATOM 35 C LIG 1 10.619 -1.029 -0.136 0.00 0.00 +0.120 A ATOM 36 N LIG 1 11.774 -0.765 0.528 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 11.669 -0.043 1.661 0.00 0.00 +0.111 A ATOM 38 C LIG 1 10.467 0.426 2.161 0.00 0.00 +0.020 A ATOM 39 C LIG 1 9.297 0.140 1.457 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 25 29 ENDBRANCH 1 27 TORSDOF 5