REMARK Name = BDB053394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.129 -2.219 0.865 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -0.505 -2.598 -0.329 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -0.372 -3.721 -0.825 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.457 -1.595 -1.010 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -2.857 -1.616 -0.314 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -3.918 -2.247 -1.240 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -3.957 -1.597 -2.631 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -2.642 -1.189 -3.138 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -2.615 -1.310 -4.152 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -1.560 -1.949 -2.510 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -3.359 -0.264 0.204 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -3.130 0.925 -0.382 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -3.654 2.194 0.202 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -3.414 3.260 -0.359 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -4.390 2.065 1.379 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -4.961 3.252 1.999 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -4.605 0.840 1.977 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.123 -0.289 1.442 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 1.012 -3.113 1.602 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.406 -4.077 2.612 0.00 0.00 +0.024 C ATOM 21 C LIG 1 1.171 -4.607 1.421 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.159 -0.826 1.342 0.00 0.00 +0.145 C BRANCH 22 29 ATOM 23 N LIG 1 2.659 0.716 -0.916 0.00 0.00 -0.346 N ATOM 24 C LIG 1 1.929 1.842 -0.592 0.00 0.00 +0.049 A ATOM 25 C LIG 1 0.951 1.444 0.326 0.00 0.00 +0.005 A ATOM 26 C LIG 1 0.076 2.421 0.854 0.00 0.00 +0.010 A ATOM 27 C LIG 1 0.194 3.755 0.445 0.00 0.00 +0.001 A ATOM 28 C LIG 1 1.169 4.123 -0.478 0.00 0.00 +0.002 A ATOM 29 C LIG 1 1.068 0.023 0.501 0.00 0.00 -0.005 A ATOM 30 C LIG 1 2.045 3.173 -1.022 0.00 0.00 +0.026 A ATOM 31 C LIG 1 2.153 -0.376 -0.262 0.00 0.00 +0.092 A BRANCH 23 32 ATOM 32 C LIG 1 3.792 0.671 -1.828 0.00 0.00 +0.124 C BRANCH 32 33 ATOM 33 C LIG 1 5.079 1.246 -1.243 0.00 0.00 +0.049 C BRANCH 33 34 ATOM 34 C LIG 1 5.588 0.460 -0.035 0.00 0.00 +0.161 C BRANCH 34 36 ATOM 35 C LIG 1 6.846 2.091 1.155 0.00 0.00 +0.193 C ATOM 36 O LIG 1 6.885 0.914 0.355 0.00 0.00 -0.383 OA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 23 32 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 9