REMARK Name = BDB027145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.197 -1.485 -1.864 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.852 -2.443 -2.998 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.066 -3.588 -2.787 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.231 -4.451 -3.844 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.265 -4.191 -5.120 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.065 -3.072 -5.340 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.362 -2.207 -4.285 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.026 -1.207 -0.944 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.135 -1.791 0.141 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.603 1.422 0.217 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -4.081 1.722 -1.053 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.894 1.096 -1.459 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.205 0.186 -0.659 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.046 -0.247 -1.389 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.081 0.417 -2.604 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.738 -0.108 0.613 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.194 1.216 -2.634 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.473 1.808 -3.406 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.926 0.510 1.035 0.00 0.00 +0.011 A BRANCH 10 23 ATOM 20 C LIG 1 -8.606 2.881 2.773 0.00 0.00 +0.150 C ATOM 21 N LIG 1 -7.595 2.713 1.762 0.00 0.00 -0.339 N ATOM 22 C LIG 1 -6.505 1.893 1.834 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -5.837 2.073 0.639 0.00 0.00 +0.089 A ATOM 24 N LIG 1 -6.513 2.988 -0.144 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 -7.562 3.351 0.559 0.00 0.00 +0.199 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.332 -2.048 -1.083 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 1.938 -2.768 -0.471 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.987 -1.026 -0.260 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.104 -1.659 0.582 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.804 -0.632 1.440 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.950 0.022 0.971 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.583 0.989 1.755 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.081 1.310 3.022 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.925 0.673 3.488 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.292 -0.293 2.700 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 6.791 2.345 3.820 0.00 0.00 +0.242 C ATOM 37 O LIG 1 7.538 3.163 3.298 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 6.612 2.329 5.176 0.00 0.00 -0.325 N ATOM 39 H LIG 1 7.210 2.954 5.702 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 6.259 1.514 5.656 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9