REMARK Name = BDB006381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.825 -0.341 1.181 0.00 0.00 +0.037 A ATOM 2 C LIG 1 3.335 -1.123 0.124 0.00 0.00 +0.023 A ATOM 3 C LIG 1 2.019 -1.637 0.179 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.239 -2.438 -0.711 0.00 0.00 -0.022 A ATOM 5 C LIG 1 0.004 -2.641 -0.113 0.00 0.00 +0.020 A ATOM 6 N LIG 1 0.010 -1.980 1.101 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.175 -3.402 -0.620 0.00 0.00 +0.064 C ATOM 8 C LIG 1 1.669 -2.966 -2.037 0.00 0.00 +0.046 C ATOM 9 C LIG 1 1.235 -1.365 1.303 0.00 0.00 +0.050 A ATOM 10 C LIG 1 1.720 -0.596 2.375 0.00 0.00 +0.027 A ATOM 11 C LIG 1 3.023 -0.094 2.297 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 5.772 0.424 -0.075 0.00 0.00 -0.309 N ATOM 13 H LIG 1 5.170 0.447 -0.890 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 5.204 0.225 1.165 0.00 0.00 +0.244 C ATOM 15 O LIG 1 5.766 0.523 2.213 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 7.040 1.116 -0.209 0.00 0.00 +0.132 C BRANCH 16 17 ATOM 17 C LIG 1 7.593 0.986 -1.628 0.00 0.00 +0.178 C BRANCH 17 19 ATOM 18 C LIG 1 6.635 2.864 -2.736 0.00 0.00 +0.194 C ATOM 19 O LIG 1 6.654 1.448 -2.608 0.00 0.00 -0.381 OA ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 -1.095 -1.965 2.062 0.00 0.00 +0.157 C BRANCH 20 21 ATOM 21 C LIG 1 -2.225 -1.054 1.643 0.00 0.00 -0.028 A ATOM 22 C LIG 1 -1.998 0.281 1.282 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -3.060 1.107 0.901 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.378 0.627 0.879 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -4.604 -0.700 1.274 0.00 0.00 +0.009 A ATOM 26 C LIG 1 -3.543 -1.529 1.651 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -5.488 1.494 0.447 0.00 0.00 -0.004 A ATOM 28 C LIG 1 -6.343 1.183 -0.633 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -7.418 2.023 -0.965 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -7.641 3.197 -0.249 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.799 3.531 0.806 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.739 2.688 1.152 0.00 0.00 +0.009 A BRANCH 28 33 ATOM 33 C LIG 1 -6.189 -0.031 -1.470 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -7.119 -0.781 -1.712 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.959 -0.171 -2.003 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -4.312 0.502 -1.719 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 9