REMARK Name = BDB041236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.449 -0.306 1.039 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.002 -1.210 1.151 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.835 -0.399 1.137 0.00 0.00 +0.166 A ATOM 4 C LIG 1 -2.473 -1.503 1.685 0.00 0.00 +0.192 A ATOM 5 C LIG 1 -3.849 -1.554 1.786 0.00 0.00 +0.115 A ATOM 6 C LIG 1 -4.157 -2.800 2.377 0.00 0.00 +0.069 A ATOM 7 C LIG 1 -2.949 -3.427 2.597 0.00 0.00 +0.198 A ATOM 8 N LIG 1 -4.655 -0.555 1.369 0.00 0.00 -0.224 NA ATOM 9 C LIG 1 -3.990 0.488 0.837 0.00 0.00 +0.166 A ATOM 10 O LIG 1 -1.915 -2.647 2.175 0.00 0.00 -0.458 OA ATOM 11 N LIG 1 -2.643 0.604 0.711 0.00 0.00 -0.209 NA BRANCH 9 12 ATOM 12 C LIG 1 -4.778 1.635 0.390 0.00 0.00 +0.059 A ATOM 13 C LIG 1 -6.016 1.548 -0.254 0.00 0.00 +0.058 A ATOM 14 N LIG 1 -6.707 2.666 -0.616 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -6.151 3.855 -0.356 0.00 0.00 +0.221 A ATOM 16 N LIG 1 -4.967 4.053 0.230 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 -4.313 2.929 0.588 0.00 0.00 +0.126 A BRANCH 13 18 ATOM 18 C LIG 1 -6.659 0.220 -0.623 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.042 -0.634 -1.712 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -7.349 0.055 -1.959 0.00 0.00 +0.010 C ENDBRANCH 13 18 ENDBRANCH 9 12 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 0.043 0.494 -0.064 0.00 0.00 +0.138 C BRANCH 21 25 ATOM 22 C LIG 1 4.339 -0.036 -0.291 0.00 0.00 +0.017 A ATOM 23 C LIG 1 3.483 -0.831 -1.065 0.00 0.00 +0.012 A ATOM 24 C LIG 1 2.097 -0.654 -0.999 0.00 0.00 +0.006 A ATOM 25 C LIG 1 1.542 0.324 -0.162 0.00 0.00 -0.030 A ATOM 26 C LIG 1 2.397 1.103 0.628 0.00 0.00 +0.006 A ATOM 27 C LIG 1 3.781 0.923 0.562 0.00 0.00 +0.012 A BRANCH 22 30 ATOM 28 C LIG 1 6.152 -0.033 -2.820 0.00 0.00 +0.150 C ATOM 29 N LIG 1 6.580 -0.231 -1.456 0.00 0.00 -0.333 N ATOM 30 C LIG 1 5.793 -0.205 -0.323 0.00 0.00 +0.141 A ATOM 31 N LIG 1 6.556 -0.316 0.751 0.00 0.00 -0.227 NA ATOM 32 C LIG 1 7.858 -0.461 0.307 0.00 0.00 +0.125 A ATOM 33 C LIG 1 7.881 -0.408 -1.071 0.00 0.00 +0.116 A BRANCH 32 34 ATOM 34 C LIG 1 8.993 -0.637 1.259 0.00 0.00 +0.391 C ATOM 35 F LIG 1 9.395 -1.938 1.312 0.00 0.00 -0.202 F ATOM 36 F LIG 1 10.086 0.074 0.860 0.00 0.00 -0.202 F ENDBRANCH 32 34 ENDBRANCH 22 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 7