REMARK Name = BDB000297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.458 -0.869 -0.175 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.445 -0.111 -0.793 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.088 -0.333 -0.515 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -0.953 0.462 -1.068 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.289 0.160 -0.782 0.00 0.00 +0.268 C ATOM 6 C LIG 1 -2.559 -1.267 -0.197 0.00 0.00 +0.211 C ATOM 7 O LIG 1 -1.523 -1.653 0.734 0.00 0.00 -0.470 OA ATOM 8 O LIG 1 -3.188 0.957 -1.063 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.242 -1.350 0.381 0.00 0.00 +0.144 A ATOM 10 C LIG 1 0.748 -2.104 1.013 0.00 0.00 +0.048 A ATOM 11 C LIG 1 2.092 -1.868 0.734 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.884 -1.373 0.605 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -5.094 -0.814 0.151 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -6.275 -0.948 0.884 0.00 0.00 +0.127 A ATOM 15 F LIG 1 -7.403 -0.399 0.414 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -6.306 -1.643 2.080 0.00 0.00 +0.076 A ATOM 17 C LIG 1 -5.131 -2.214 2.537 0.00 0.00 +0.127 A ATOM 18 F LIG 1 -5.136 -2.902 3.686 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -3.940 -2.093 1.819 0.00 0.00 +0.046 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 20 C LIG 1 4.625 0.372 0.156 0.00 0.00 +0.056 A ATOM 21 C LIG 1 3.873 -0.614 -0.480 0.00 0.00 +0.043 A ATOM 22 C LIG 1 4.567 -1.349 -1.446 0.00 0.00 +0.129 A ATOM 23 N LIG 1 5.853 -1.128 -1.751 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 6.477 -0.153 -1.096 0.00 0.00 +0.214 A ATOM 25 N LIG 1 5.926 0.594 -0.140 0.00 0.00 -0.219 NA BRANCH 22 26 ATOM 26 N LIG 1 3.936 -2.376 -2.175 0.00 0.00 -0.343 N ATOM 27 H LIG 1 3.569 -3.073 -1.534 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 3.150 -1.989 -2.689 0.00 0.00 +0.144 HD ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 N LIG 1 7.804 0.070 -1.394 0.00 0.00 -0.327 N ATOM 30 H LIG 1 8.203 -0.767 -1.795 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 8.271 0.477 -0.596 0.00 0.00 +0.145 HD ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 4.302 0.658 2.628 0.00 0.00 +0.010 C ATOM 33 C LIG 1 4.068 1.253 1.248 0.00 0.00 +0.053 C ENDBRANCH 20 33 ENDBRANCH 1 21 BRANCH 6 34 ATOM 34 C LIG 1 -2.541 -2.329 -1.339 0.00 0.00 +0.059 C ATOM 35 C LIG 1 -3.556 -2.143 -2.460 0.00 0.00 +0.009 C ENDBRANCH 6 34 BRANCH 4 36 ATOM 36 C LIG 1 -0.658 1.701 -1.794 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 C LIG 1 -0.247 2.869 -0.896 0.00 0.00 +0.047 C BRANCH 37 38 ATOM 38 C LIG 1 -1.370 3.355 0.012 0.00 0.00 +0.161 C BRANCH 38 39 ATOM 39 O LIG 1 -0.885 4.484 0.742 0.00 0.00 -0.383 OA ATOM 40 C LIG 1 -1.883 5.010 1.608 0.00 0.00 +0.193 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 10