REMARK Name = BDB018598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.772 0.442 1.408 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.773 0.285 2.789 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.991 1.046 3.568 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.567 -0.690 3.381 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.381 -1.500 2.584 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.417 -1.330 1.189 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.593 -0.356 0.603 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 1.860 -1.033 -0.730 0.00 0.00 +0.032 C ATOM 9 C LIG 1 2.353 -0.215 0.464 0.00 0.00 +0.104 C ATOM 10 N LIG 1 3.116 0.938 0.026 0.00 0.00 -0.309 N ATOM 11 C LIG 1 2.588 2.198 -0.066 0.00 0.00 +0.151 A ATOM 12 N LIG 1 3.535 3.023 -0.456 0.00 0.00 -0.133 NA ATOM 13 N LIG 1 4.688 2.295 -0.623 0.00 0.00 -0.134 NA ATOM 14 C LIG 1 1.176 2.522 0.271 0.00 0.00 +0.184 C ATOM 15 N LIG 1 0.422 1.340 0.709 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.961 1.493 0.781 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -1.563 2.455 0.313 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.432 1.033 -0.336 0.00 0.00 +0.137 A ATOM 19 C LIG 1 1.180 0.254 1.343 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 5.414 -0.098 -0.395 0.00 0.00 +0.059 C ATOM 21 C LIG 1 5.892 -0.309 -1.842 0.00 0.00 +0.026 C ATOM 22 C LIG 1 7.238 -1.023 -1.874 0.00 0.00 +0.081 C ATOM 23 N LIG 1 8.301 -0.311 -1.164 0.00 0.00 -0.316 NA ATOM 24 H LIG 1 8.896 0.180 -1.832 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 7.819 0.656 -0.174 0.00 0.00 +0.081 C ATOM 26 C LIG 1 6.589 0.146 0.568 0.00 0.00 +0.026 C ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -4.293 -2.236 0.348 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.946 -1.550 -0.844 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -6.108 -0.648 -0.641 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.658 -0.055 -1.776 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.754 0.810 -1.670 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -8.302 1.083 -0.418 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.756 0.494 0.722 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.073 -0.347 -3.094 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -6.532 0.140 -4.121 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.992 -1.195 -3.101 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -4.576 -1.405 -4.003 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -6.662 -0.370 0.615 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -4.433 -1.792 -2.015 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4