REMARK Name = BDB039077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.700 -0.930 0.111 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.690 -0.034 -0.192 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.349 -0.355 0.283 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.252 0.493 -0.309 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.528 1.565 -1.191 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.488 2.332 -1.735 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.151 2.086 -1.412 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.892 1.033 -0.528 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.274 0.502 -0.009 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.070 -0.503 0.877 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.378 -0.682 0.873 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.954 1.847 -1.595 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.902 0.256 0.022 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.947 1.356 -0.546 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.512 -2.032 0.614 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.852 -1.289 1.776 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.458 -0.423 2.888 0.00 0.00 +0.011 C ATOM 18 C LIG 1 2.279 -1.252 3.877 0.00 0.00 +0.001 C ATOM 19 C LIG 1 3.056 -2.401 3.232 0.00 0.00 +0.000 C ATOM 20 C LIG 1 3.237 -2.215 1.731 0.00 0.00 +0.001 C ATOM 21 C LIG 1 1.888 -2.132 1.016 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.002 -1.360 0.079 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.935 -0.457 -0.213 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.602 0.971 -0.360 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 2.023 0.555 -1.773 0.00 0.00 +0.057 C BRANCH 25 26 ATOM 26 C LIG 1 3.459 0.928 -2.050 0.00 0.00 -0.045 A ATOM 27 C LIG 1 4.499 0.060 -1.679 0.00 0.00 +0.021 A ATOM 28 C LIG 1 5.840 0.406 -1.909 0.00 0.00 +0.094 A ATOM 29 C LIG 1 6.134 1.632 -2.501 0.00 0.00 +0.137 A ATOM 30 F LIG 1 7.397 2.031 -2.709 0.00 0.00 -0.205 F ATOM 31 C LIG 1 5.110 2.502 -2.872 0.00 0.00 +0.039 A ATOM 32 C LIG 1 3.777 2.154 -2.648 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 6.879 -0.552 -1.480 0.00 0.00 +0.340 C ATOM 34 O LIG 1 6.697 -1.470 -0.699 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 8.069 -0.363 -2.068 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 8.644 -1.067 -1.705 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7