REMARK Name = BDB007808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.715 0.432 0.509 0.00 0.00 +0.229 A ATOM 2 O LIG 1 2.444 -0.032 0.314 0.00 0.00 -0.434 OA ATOM 3 C LIG 1 1.617 1.011 0.657 0.00 0.00 +0.168 A ATOM 4 C LIG 1 2.431 2.068 1.022 0.00 0.00 +0.172 A ATOM 5 N LIG 1 3.768 1.682 0.923 0.00 0.00 -0.204 NA ENDROOT BRANCH 1 8 ATOM 6 C LIG 1 3.595 -2.513 1.230 0.00 0.00 +0.044 C ATOM 7 C LIG 1 4.765 -1.881 0.520 0.00 0.00 -0.038 A ATOM 8 C LIG 1 4.795 -0.499 0.202 0.00 0.00 +0.049 A ATOM 9 C LIG 1 5.939 0.035 -0.451 0.00 0.00 +0.012 A ATOM 10 C LIG 1 6.990 -0.825 -0.779 0.00 0.00 +0.047 A ATOM 11 N LIG 1 7.963 -0.075 -1.402 0.00 0.00 -0.361 N ATOM 12 H LIG 1 8.839 -0.445 -1.745 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 7.569 1.232 -1.492 0.00 0.00 +0.083 A ATOM 14 C LIG 1 6.970 -2.192 -0.492 0.00 0.00 +0.026 A ATOM 15 C LIG 1 6.324 1.331 -0.917 0.00 0.00 +0.028 A ATOM 16 C LIG 1 5.843 -2.701 0.158 0.00 0.00 +0.006 A ENDBRANCH 1 8 BRANCH 3 17 ATOM 17 C LIG 1 0.194 0.721 0.557 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.731 1.249 1.455 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -2.097 0.942 1.346 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.599 0.093 0.348 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -1.654 -0.431 -0.544 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -0.287 -0.130 -0.443 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 -3.951 -0.196 0.251 0.00 0.00 -0.327 N ATOM 24 C LIG 1 -4.535 -0.795 -0.959 0.00 0.00 +0.126 C ATOM 25 C LIG 1 -6.071 -0.500 -1.093 0.00 0.00 +0.029 C ATOM 26 C LIG 1 -6.290 0.986 -1.435 0.00 0.00 +0.029 C ATOM 27 C LIG 1 -6.625 -1.346 -2.256 0.00 0.00 +0.029 C ATOM 28 N LIG 1 -6.880 -0.787 0.117 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 -7.485 -1.594 -0.031 0.00 0.00 +0.123 HD ATOM 30 C LIG 1 -6.046 -1.035 1.302 0.00 0.00 +0.100 C ATOM 31 C LIG 1 -4.823 -0.105 1.433 0.00 0.00 +0.120 C ENDBRANCH 20 23 ENDBRANCH 3 17 BRANCH 4 32 ATOM 32 C LIG 1 2.059 3.415 1.430 0.00 0.00 +0.264 C ATOM 33 O LIG 1 0.917 3.855 1.485 0.00 0.00 -0.269 OA ATOM 34 N LIG 1 3.132 4.196 1.759 0.00 0.00 -0.324 N ATOM 35 H LIG 1 2.984 5.160 2.013 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 4.069 3.820 1.665 0.00 0.00 +0.145 HD ENDBRANCH 4 32 TORSDOF 4