REMARK Name = BDB010789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.025 -1.129 -0.706 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.704 -1.528 -0.480 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.449 -2.776 0.067 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.884 -2.999 0.211 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -1.494 -1.930 -0.263 0.00 0.00 +0.137 A ATOM 6 N LIG 1 1.393 -3.663 0.411 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.620 -3.220 0.148 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.559 -0.989 -0.677 0.00 0.00 -0.320 N ATOM 9 N LIG 1 2.978 -2.028 -0.385 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.749 -4.117 0.483 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.003 -3.703 0.238 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.282 -2.824 -0.164 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.823 -4.686 0.628 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.042 -4.669 0.561 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.062 -5.717 1.119 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.695 -5.299 1.005 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.376 0.099 -1.240 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.710 0.828 -1.032 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.651 -0.186 -2.197 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.753 0.604 -1.247 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.369 0.710 0.147 0.00 0.00 +0.009 C ATOM 22 C LIG 1 5.588 1.664 0.300 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.030 2.038 1.688 0.00 0.00 +0.001 C ATOM 24 C LIG 1 3.638 1.644 1.155 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -2.894 -1.706 -0.358 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -3.751 -2.588 0.183 0.00 0.00 +0.011 C BRANCH 26 27 ATOM 27 C LIG 1 -5.211 -2.443 0.120 0.00 0.00 -0.025 A ATOM 28 C LIG 1 -5.850 -1.220 0.368 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -7.243 -1.127 0.324 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -8.010 -2.256 0.042 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.386 -3.480 -0.189 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.993 -3.574 -0.144 0.00 0.00 +0.008 A ENDBRANCH 26 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.827 0.319 -1.258 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -0.733 1.476 -0.240 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.920 1.476 0.743 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.112 2.848 1.379 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.500 3.899 0.324 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -2.115 5.298 0.807 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.897 3.594 -1.060 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.579 2.834 -0.958 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8