REMARK Name = BDB023429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.025 -0.202 -1.936 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.484 -2.550 -2.455 0.00 0.00 +0.401 C ATOM 3 N LIG 1 -0.890 -1.372 -2.793 0.00 0.00 -0.270 N ATOM 4 H LIG 1 -0.884 -1.215 -3.793 0.00 0.00 +0.153 HD ATOM 5 O LIG 1 -1.936 -2.828 -1.355 0.00 0.00 -0.226 OA BRANCH 2 7 ATOM 6 C LIG 1 -2.129 -4.623 -3.306 0.00 0.00 +0.282 C ATOM 7 O LIG 1 -1.508 -3.359 -3.542 0.00 0.00 -0.454 OA ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 -2.315 0.546 -2.351 0.00 0.00 +0.238 C ATOM 9 N LIG 1 -2.800 1.365 -1.352 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -2.333 1.363 -0.445 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.779 0.436 -3.485 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -3.926 2.223 -1.376 0.00 0.00 +0.060 A ATOM 13 C LIG 1 -4.175 2.934 -0.190 0.00 0.00 +0.092 A ATOM 14 C LIG 1 -5.285 3.804 -0.147 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.530 4.509 1.039 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -4.689 4.340 2.132 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -3.624 3.470 2.002 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -6.115 3.951 -1.270 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -5.850 3.238 -2.436 0.00 0.00 +0.003 A ATOM 20 N LIG 1 -3.353 2.774 0.876 0.00 0.00 -0.253 NA ATOM 21 C LIG 1 -4.757 2.375 -2.490 0.00 0.00 +0.025 A ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.178 0.741 -2.089 0.00 0.00 +0.032 C BRANCH 22 23 ATOM 23 C LIG 1 1.363 0.410 -1.172 0.00 0.00 +0.003 C BRANCH 23 24 ATOM 24 C LIG 1 1.950 -0.989 -1.384 0.00 0.00 +0.009 C BRANCH 24 25 ATOM 25 C LIG 1 3.274 -1.190 -0.643 0.00 0.00 +0.096 C BRANCH 25 26 ATOM 26 C LIG 1 3.134 -1.290 0.870 0.00 0.00 +0.217 C ATOM 27 N LIG 1 4.366 -1.422 1.477 0.00 0.00 -0.284 N ATOM 28 H LIG 1 5.200 -1.444 0.896 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 2.047 -1.252 1.435 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 4.656 -1.580 2.848 0.00 0.00 +0.054 A ATOM 31 C LIG 1 6.025 -1.673 3.181 0.00 0.00 +0.046 A ATOM 32 C LIG 1 6.403 -1.782 4.523 0.00 0.00 +0.024 A ATOM 33 C LIG 1 5.431 -1.877 5.520 0.00 0.00 +0.002 A ATOM 34 C LIG 1 4.079 -1.826 5.183 0.00 0.00 +0.002 A ATOM 35 C LIG 1 3.690 -1.671 3.850 0.00 0.00 +0.025 A BRANCH 31 36 ATOM 36 N LIG 1 7.008 -1.417 2.185 0.00 0.00 -0.357 N ATOM 37 H LIG 1 7.109 -0.407 2.082 0.00 0.00 +0.142 HD ATOM 38 H LIG 1 7.909 -1.802 2.462 0.00 0.00 +0.142 HD ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11