REMARK Name = BDB005049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.107 -2.160 1.121 0.00 0.00 +0.099 C ATOM 2 C LIG 1 3.055 -3.362 1.104 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -1.022 -1.189 -0.878 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.098 -1.366 0.164 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.136 -2.016 -0.042 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.424 -2.491 -1.327 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.512 -2.320 -2.369 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.704 -1.671 -2.146 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 -3.253 -0.178 -1.432 0.00 0.00 +0.222 C ATOM 10 N LIG 1 -2.231 -0.533 -0.562 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -2.343 -0.264 0.406 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -3.260 -0.345 -2.646 0.00 0.00 -0.275 OA BRANCH 9 15 ATOM 13 N LIG 1 -6.620 -0.250 -0.011 0.00 0.00 -0.302 NA ATOM 14 C LIG 1 -5.194 -0.601 0.091 0.00 0.00 +0.097 C ATOM 15 C LIG 1 -4.425 0.462 -0.697 0.00 0.00 +0.090 C ATOM 16 C LIG 1 -5.472 1.105 -1.608 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -6.736 0.291 -1.378 0.00 0.00 +0.085 C BRANCH 13 19 ATOM 18 C LIG 1 -7.222 0.085 2.369 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -7.050 0.730 0.997 0.00 0.00 +0.081 C ENDBRANCH 13 19 ENDBRANCH 9 15 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 2.785 -0.893 1.433 0.00 0.00 -0.322 N ATOM 21 H LIG 1 2.096 -0.161 1.577 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 3.780 -0.369 0.585 0.00 0.00 +0.130 A ATOM 23 C LIG 1 4.408 0.848 0.934 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.366 1.351 0.030 0.00 0.00 +0.088 A ATOM 25 C LIG 1 5.988 2.576 0.351 0.00 0.00 +0.063 A ATOM 26 C LIG 1 5.681 3.265 1.541 0.00 0.00 +0.015 A ATOM 27 C LIG 1 4.754 2.752 2.434 0.00 0.00 +0.002 A ATOM 28 N LIG 1 5.667 0.666 -1.095 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 5.040 -0.495 -1.307 0.00 0.00 +0.223 A ATOM 30 C LIG 1 4.124 1.553 2.132 0.00 0.00 +0.013 A ATOM 31 N LIG 1 4.120 -1.045 -0.518 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 7.007 3.234 -0.527 0.00 0.00 +0.244 C ATOM 33 O LIG 1 7.568 4.272 -0.194 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 7.302 2.657 -1.726 0.00 0.00 -0.325 N ATOM 35 H LIG 1 6.887 1.767 -1.988 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 8.016 3.070 -2.307 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 7