REMARK Name = BDB021396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.722 -1.502 -1.703 0.00 0.00 +0.037 C ATOM 2 C LIG 1 1.798 -0.601 -1.102 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.488 0.746 -0.812 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.476 1.626 -0.338 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.783 1.180 -0.139 0.00 0.00 +0.014 A ATOM 6 C LIG 1 4.095 -0.153 -0.403 0.00 0.00 +0.037 A ATOM 7 C LIG 1 0.115 1.286 -1.038 0.00 0.00 +0.247 C ATOM 8 O LIG 1 -0.102 2.490 -0.943 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.878 0.366 -1.358 0.00 0.00 -0.294 N ATOM 10 C LIG 1 3.121 -1.033 -0.899 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -0.652 -1.060 -1.171 0.00 0.00 +0.116 C ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 5.485 -0.620 -0.217 0.00 0.00 +0.247 C ATOM 13 N LIG 1 5.683 -1.727 0.593 0.00 0.00 -0.287 N ATOM 14 C LIG 1 7.035 -2.168 0.911 0.00 0.00 +0.102 C ATOM 15 C LIG 1 7.586 -1.259 2.035 0.00 0.00 +0.182 C ATOM 16 O LIG 1 6.764 -1.335 3.226 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 5.366 -1.139 2.926 0.00 0.00 +0.182 C ATOM 18 C LIG 1 6.771 -3.583 1.438 0.00 0.00 +0.027 C ATOM 19 C LIG 1 5.353 -3.514 2.039 0.00 0.00 +0.027 C ATOM 20 C LIG 1 4.899 -2.071 1.780 0.00 0.00 +0.102 C ATOM 21 O LIG 1 6.394 -0.035 -0.803 0.00 0.00 -0.270 OA ENDBRANCH 6 12 BRANCH 1 23 ATOM 22 C LIG 1 -0.140 -3.913 -2.027 0.00 0.00 +0.004 C ATOM 23 C LIG 1 0.954 -3.011 -1.468 0.00 0.00 +0.006 C ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.244 0.861 -1.596 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -3.019 1.188 -0.301 0.00 0.00 +0.149 C BRANCH 25 26 ATOM 26 C LIG 1 -4.265 2.076 -0.597 0.00 0.00 +0.088 C ATOM 27 N LIG 1 -5.171 1.415 -1.562 0.00 0.00 -0.307 NA ATOM 28 H LIG 1 -5.599 0.620 -1.073 0.00 0.00 +0.123 HD ATOM 29 C LIG 1 -6.233 2.341 -1.972 0.00 0.00 +0.117 C ATOM 30 C LIG 1 -6.940 3.018 -0.822 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -6.355 3.071 0.456 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -7.038 3.698 1.509 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -8.273 4.300 1.289 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.842 4.281 0.013 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.173 3.647 -1.036 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.030 2.394 0.710 0.00 0.00 +0.056 C ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 O LIG 1 -3.432 -0.032 0.345 0.00 0.00 -0.389 OA ATOM 38 H LIG 1 -2.617 -0.515 0.571 0.00 0.00 +0.210 HD ENDBRANCH 25 37 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 6