REMARK Name = BDB013107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.445 -0.938 -0.258 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.482 0.050 -0.694 0.00 0.00 +0.173 A ATOM 3 N LIG 1 1.759 -0.367 -0.979 0.00 0.00 -0.253 N ATOM 4 C LIG 1 2.409 0.738 -1.442 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.612 1.782 -1.379 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 2.183 -1.689 -0.822 0.00 0.00 +0.203 A ATOM 7 N LIG 1 1.328 -2.604 -0.450 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.393 1.347 -0.905 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 0.031 -2.203 -0.188 0.00 0.00 +0.126 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -4.500 -1.562 2.649 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -3.852 -0.942 1.444 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -4.538 -0.067 0.589 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.937 0.473 -0.494 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -2.634 0.177 -0.726 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -1.865 -0.671 0.061 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -2.502 -1.223 1.176 0.00 0.00 +0.017 A BRANCH 12 17 ATOM 17 N LIG 1 -5.879 0.277 0.863 0.00 0.00 -0.305 N ATOM 18 C LIG 1 -5.903 1.432 1.802 0.00 0.00 +0.202 C ATOM 19 C LIG 1 -7.322 1.986 2.036 0.00 0.00 +0.230 C ATOM 20 O LIG 1 -7.619 2.638 3.038 0.00 0.00 -0.274 OA ATOM 21 N LIG 1 -8.256 1.813 1.040 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -9.184 2.135 1.286 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -8.102 0.790 0.022 0.00 0.00 +0.123 C ATOM 24 C LIG 1 -6.636 0.572 -0.369 0.00 0.00 +0.125 C ENDBRANCH 12 17 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 N LIG 1 3.489 -2.048 -1.071 0.00 0.00 -0.310 N ATOM 26 H LIG 1 3.528 -3.066 -1.103 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 4.551 -1.579 -0.181 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 5.657 -0.924 -0.966 0.00 0.00 -0.024 A ATOM 29 C LIG 1 6.240 0.273 -0.554 0.00 0.00 +0.002 A ATOM 30 C LIG 1 5.908 1.165 0.585 0.00 0.00 +0.080 C ATOM 31 C LIG 1 7.130 2.081 0.556 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.711 2.049 -0.766 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 7.262 0.863 -1.288 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.757 0.302 -2.446 0.00 0.00 +0.046 A ATOM 35 C LIG 1 7.211 -0.909 -2.866 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.179 -1.518 -2.131 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 5