REMARK Name = BDB035307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.668 -1.479 -0.556 0.00 0.00 +0.077 A ATOM 2 N LIG 1 -0.624 -0.701 -0.903 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.406 -0.595 -0.047 0.00 0.00 +0.239 A ATOM 4 N LIG 1 0.413 -1.238 1.127 0.00 0.00 -0.216 NA ATOM 5 C LIG 1 -0.621 -2.033 1.482 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -1.695 -2.180 0.630 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.500 0.233 -0.415 0.00 0.00 -0.234 N ATOM 8 C LIG 1 2.591 0.394 0.441 0.00 0.00 +0.285 A ATOM 9 O LIG 1 2.765 -0.102 1.548 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 3.578 1.265 -0.121 0.00 0.00 +0.131 A ATOM 11 C LIG 1 3.460 1.862 -1.341 0.00 0.00 +0.096 A ATOM 12 C LIG 1 4.595 2.647 -1.587 0.00 0.00 +0.051 A ATOM 13 C LIG 1 5.400 2.495 -0.476 0.00 0.00 +0.022 A ATOM 14 N LIG 1 2.357 1.680 -2.163 0.00 0.00 -0.235 NA ATOM 15 N LIG 1 4.774 1.659 0.416 0.00 0.00 -0.352 N ATOM 16 H LIG 1 5.130 1.373 1.319 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 1.464 0.884 -1.646 0.00 0.00 +0.210 A BRANCH 13 18 ATOM 18 C LIG 1 6.772 3.173 -0.253 0.00 0.00 +0.036 C ATOM 19 C LIG 1 7.947 2.324 0.156 0.00 0.00 +0.010 C ATOM 20 C LIG 1 7.885 2.898 -1.229 0.00 0.00 +0.010 C ENDBRANCH 13 18 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -4.112 -1.262 -1.199 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -2.766 -1.525 -1.535 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -2.486 -1.855 -2.876 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -3.507 -1.951 -3.827 0.00 0.00 +0.039 A ATOM 25 C LIG 1 -4.823 -1.720 -3.448 0.00 0.00 +0.124 A ATOM 26 F LIG 1 -5.798 -1.821 -4.360 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -5.140 -1.379 -2.143 0.00 0.00 +0.052 A BRANCH 21 29 ATOM 28 O LIG 1 -5.214 -1.603 0.828 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -4.508 -0.853 0.164 0.00 0.00 +0.248 C ATOM 30 N LIG 1 -4.026 0.352 0.609 0.00 0.00 -0.292 N ATOM 31 C LIG 1 -4.531 1.108 1.748 0.00 0.00 +0.146 C ATOM 32 C LIG 1 -3.747 2.308 1.191 0.00 0.00 +0.200 C ATOM 33 F LIG 1 -4.402 3.492 1.164 0.00 0.00 -0.242 F ATOM 34 C LIG 1 -3.668 1.547 -0.144 0.00 0.00 +0.146 C ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 5 35 ATOM 35 C LIG 1 -0.523 -2.714 2.832 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -1.091 -4.091 3.080 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -1.735 -2.891 3.717 0.00 0.00 +0.010 C ENDBRANCH 5 35 TORSDOF 5