REMARK Name = BDB016748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.022 0.173 -0.614 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.816 -0.986 0.158 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.503 -1.379 0.447 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.385 -0.684 0.007 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.735 -1.413 0.523 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.329 -2.502 1.199 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.584 0.460 -0.787 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.010 -2.433 1.162 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.538 -3.151 1.642 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.894 0.867 -1.083 0.00 0.00 +0.005 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 9.990 -0.320 -1.908 0.00 0.00 +0.044 C ATOM 12 C LIG 1 9.041 -0.040 -0.778 0.00 0.00 -0.050 A ATOM 13 C LIG 1 7.727 0.380 -1.050 0.00 0.00 +0.010 A ATOM 14 C LIG 1 6.857 0.602 0.007 0.00 0.00 -0.010 A ATOM 15 C LIG 1 5.423 1.048 0.077 0.00 0.00 +0.081 C ATOM 16 C LIG 1 4.421 0.615 -0.974 0.00 0.00 +0.040 C ATOM 17 C LIG 1 5.133 1.112 1.560 0.00 0.00 +0.228 C ATOM 18 N LIG 1 6.278 0.688 2.215 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.347 0.658 3.220 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 4.097 1.496 2.077 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 4.836 2.067 -0.855 0.00 0.00 +0.031 C ATOM 22 C LIG 1 7.307 0.395 1.318 0.00 0.00 +0.038 A ATOM 23 C LIG 1 8.582 -0.028 1.625 0.00 0.00 +0.024 A ATOM 24 C LIG 1 9.453 -0.252 0.556 0.00 0.00 +0.005 A ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -2.159 -1.112 0.376 0.00 0.00 +0.003 A ATOM 26 C LIG 1 -3.077 -2.136 0.136 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -4.443 -1.852 -0.013 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.948 -0.547 0.084 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -4.007 0.465 0.337 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -2.639 0.194 0.485 0.00 0.00 +0.012 A BRANCH 28 31 ATOM 31 N LIG 1 -6.295 -0.265 -0.069 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -7.230 -1.234 -0.663 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.478 -0.507 -1.217 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -9.253 0.233 -0.197 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -9.994 1.330 -0.813 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -8.382 0.705 0.900 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -6.897 0.939 0.531 0.00 0.00 +0.120 C ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 3