REMARK Name = BDB026946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.841 -0.501 0.232 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.492 -1.742 1.042 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.470 -3.026 0.474 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.155 -4.144 1.250 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.130 -3.997 2.606 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.095 -2.734 3.191 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.219 -1.616 2.417 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.537 -0.608 -1.287 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.400 -0.974 -2.092 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.789 0.542 -0.563 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.354 0.550 -1.893 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.006 0.259 -2.151 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.076 -0.041 -1.148 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.809 -0.271 -1.798 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.045 -0.126 -3.158 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.556 -0.070 0.181 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.353 0.196 -3.356 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.786 0.361 -4.255 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.901 0.220 0.463 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 6.499 1.416 0.940 0.00 0.00 -0.312 N ATOM 21 H LIG 1 5.730 1.839 1.439 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 6.221 0.854 -0.292 0.00 0.00 +0.244 C ATOM 23 O LIG 1 7.070 0.645 -1.151 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 8.027 2.102 2.725 0.00 0.00 +0.024 C ATOM 25 C LIG 1 7.831 1.902 1.235 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.220 0.001 0.505 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.254 0.308 1.475 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.294 -0.985 0.297 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -4.730 -0.407 0.466 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -4.887 0.355 1.789 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -5.282 0.417 -0.693 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.675 0.563 -0.817 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.234 1.317 -1.852 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.408 1.936 -2.791 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -5.024 1.794 -2.686 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.467 1.043 -1.645 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.977 2.710 -3.854 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.443 3.340 -4.709 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10