REMARK Name = BDB035695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.211 -0.712 0.288 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.964 -1.467 0.365 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.160 -2.661 0.223 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.053 -0.534 0.678 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.401 -0.801 0.832 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.258 0.272 1.119 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.724 1.577 1.237 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.346 1.831 1.083 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.524 0.745 0.794 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.049 0.699 0.553 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.928 -0.727 -0.412 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.610 -0.321 -0.076 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.511 -1.197 -0.023 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.751 -2.543 -0.298 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.033 -2.990 -0.621 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.100 -2.095 -0.679 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.746 -0.147 0.869 0.00 0.00 +0.057 C ATOM 18 C LIG 1 6.602 -0.114 -0.675 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.122 0.358 -0.480 0.00 0.00 +0.057 C ATOM 20 C LIG 1 5.615 0.911 0.908 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 4.720 1.512 -1.482 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.675 1.450 -2.847 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.998 0.331 -3.688 0.00 0.00 +0.151 C ATOM 24 C LIG 1 4.217 2.662 -3.262 0.00 0.00 +0.224 A ATOM 25 N LIG 1 3.982 3.423 -2.219 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.292 2.696 -1.095 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.447 -0.319 2.832 0.00 0.00 +0.086 C ATOM 28 C LIG 1 8.118 0.253 1.475 0.00 0.00 +0.133 C ATOM 29 O LIG 1 8.939 0.976 0.898 0.00 0.00 -0.297 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.788 3.225 1.192 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.664 4.121 1.724 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.676 3.279 1.976 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.421 3.727 -0.017 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.745 0.029 1.264 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.339 -0.241 -0.043 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -6.180 0.556 -0.659 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.743 -0.662 0.046 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.126 -1.226 -1.355 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.754 -2.433 -0.628 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.821 -2.127 0.562 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.694 0.376 0.611 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8