REMARK Name = BDB014670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.864 5.140 1.596 0.00 0.00 +0.324 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -2.979 3.966 1.462 0.00 0.00 -0.272 OA ATOM 3 C LIG 1 -1.849 4.018 1.937 0.00 0.00 +0.251 C ATOM 4 N LIG 1 -1.347 3.088 2.826 0.00 0.00 -0.310 N ATOM 5 H LIG 1 -0.336 3.080 2.948 0.00 0.00 +0.149 HD BRANCH 4 6 ATOM 6 C LIG 1 -1.992 1.791 2.990 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 -1.429 0.788 1.975 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 -0.041 0.553 2.285 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 0.138 -0.343 1.920 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -2.188 -0.556 2.006 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 -1.472 -1.614 1.252 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 -1.429 -1.372 -0.209 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.748 -1.579 -0.922 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -3.720 -2.449 -0.397 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -4.919 -2.651 -1.093 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.147 -2.007 -2.310 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.180 -1.155 -2.839 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.506 -3.104 0.947 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -2.982 -0.946 -2.152 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -2.070 -2.945 1.479 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 O LIG 1 0.414 4.683 1.154 0.00 0.00 -0.483 OA BRANCH 21 22 ATOM 22 C LIG 1 0.383 3.872 0.049 0.00 0.00 +0.122 A ATOM 23 C LIG 1 1.207 2.746 0.100 0.00 0.00 +0.058 A ATOM 24 C LIG 1 1.209 1.831 -0.958 0.00 0.00 +0.040 A ATOM 25 C LIG 1 0.397 2.063 -2.076 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -0.398 3.207 -2.140 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -0.402 4.115 -1.080 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 2.000 0.571 -0.912 0.00 0.00 +0.244 C ATOM 29 N LIG 1 3.131 0.574 -0.123 0.00 0.00 -0.311 N ATOM 30 H LIG 1 3.468 1.439 0.278 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 1.650 -0.399 -1.577 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 C LIG 1 3.995 -0.592 -0.031 0.00 0.00 +0.112 C BRANCH 32 33 ATOM 33 C LIG 1 4.875 -0.766 -1.271 0.00 0.00 +0.093 C BRANCH 33 34 ATOM 34 C LIG 1 5.708 -1.994 -1.164 0.00 0.00 +0.109 A ATOM 35 N LIG 1 5.410 -3.150 -1.846 0.00 0.00 -0.348 N ATOM 36 H LIG 1 4.614 -3.284 -2.456 0.00 0.00 +0.166 HD ATOM 37 C LIG 1 6.369 -4.074 -1.535 0.00 0.00 +0.104 A ATOM 38 C LIG 1 7.207 -3.437 -0.652 0.00 0.00 +0.130 A ATOM 39 N LIG 1 6.790 -2.150 -0.428 0.00 0.00 -0.241 NA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12