REMARK Name = BDB049494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.776 0.435 2.656 0.00 0.00 -0.302 N ATOM 2 H LIG 1 -0.681 1.436 2.774 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -1.955 -0.031 2.116 0.00 0.00 +0.215 C ATOM 4 O LIG 1 -2.376 -1.166 2.308 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 CA LIG 1 0.034 -0.416 3.532 0.00 0.00 +0.186 C BRANCH 5 6 ATOM 6 C LIG 1 -0.397 -0.169 4.974 0.00 0.00 +0.326 C ATOM 7 O LIG 1 -0.900 0.855 5.415 0.00 0.00 -0.249 OA BRANCH 6 8 ATOM 8 OXT LIG 1 -0.116 -1.200 5.796 0.00 0.00 -0.479 OA ATOM 9 HXT LIG 1 -0.470 -0.920 6.667 0.00 0.00 +0.295 HD ENDBRANCH 6 8 ENDBRANCH 5 6 BRANCH 5 10 ATOM 10 C LIG 1 1.531 -0.103 3.405 0.00 0.00 +0.069 C BRANCH 10 14 ATOM 11 C LIG 1 3.068 -0.465 -0.612 0.00 0.00 +0.121 A ATOM 12 C LIG 1 2.459 -1.558 -0.003 0.00 0.00 +0.046 A ATOM 13 C LIG 1 1.978 -1.450 1.303 0.00 0.00 +0.007 A ATOM 14 C LIG 1 2.068 -0.235 1.997 0.00 0.00 -0.045 A ATOM 15 C LIG 1 2.655 0.867 1.358 0.00 0.00 +0.007 A ATOM 16 C LIG 1 3.138 0.756 0.053 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 3.467 -0.542 -1.915 0.00 0.00 -0.487 OA BRANCH 17 19 ATOM 18 C LIG 1 5.042 -2.448 -1.742 0.00 0.00 +0.055 C ATOM 19 C LIG 1 4.823 -0.986 -2.155 0.00 0.00 +0.102 C ATOM 20 C LIG 1 4.989 -0.890 -3.681 0.00 0.00 +0.055 C ATOM 21 C LIG 1 5.872 -0.074 -1.501 0.00 0.00 +0.055 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 5 10 ENDBRANCH 1 5 BRANCH 3 22 ATOM 22 C LIG 1 -2.694 1.012 1.306 0.00 0.00 +0.108 C BRANCH 22 23 ATOM 23 C LIG 1 -3.477 0.386 0.137 0.00 0.00 +0.058 C BRANCH 23 24 ATOM 24 C LIG 1 -2.639 -0.261 -0.971 0.00 0.00 -0.040 A ATOM 25 C LIG 1 -1.278 0.012 -1.176 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -0.574 -0.601 -2.216 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.215 -1.496 -3.068 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.565 -1.778 -2.883 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.270 -1.166 -1.846 0.00 0.00 +0.004 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -4.447 1.431 -0.417 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -5.815 1.345 -0.112 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.713 2.301 -0.591 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.255 3.355 -1.379 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.901 3.456 -1.688 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.001 2.502 -1.209 0.00 0.00 +0.004 A ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11