REMARK Name = BDB004830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.752 -0.877 1.571 0.00 0.00 +0.128 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.344 -0.445 1.992 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.741 -0.455 1.094 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.016 -0.018 1.485 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.201 0.446 2.788 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.132 0.477 3.688 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.131 0.037 3.294 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.050 -0.113 0.530 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.795 -0.529 -0.356 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.346 0.351 0.653 0.00 0.00 +0.248 C ATOM 11 O LIG 1 4.791 1.065 1.542 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.256 -0.045 -0.460 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.157 -1.299 -1.073 0.00 0.00 +0.016 A ATOM 14 C LIG 1 6.038 -1.640 -2.101 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.031 -0.748 -2.519 0.00 0.00 +0.120 A ATOM 16 C LIG 1 7.134 0.499 -1.903 0.00 0.00 +0.046 A ATOM 17 C LIG 1 6.255 0.847 -0.870 0.00 0.00 +0.016 A BRANCH 15 18 ATOM 18 O LIG 1 7.826 -1.213 -3.530 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 8.972 -0.435 -3.855 0.00 0.00 +0.277 C ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -2.281 0.196 0.706 0.00 0.00 -0.319 N ATOM 21 H LIG 1 -1.915 1.095 1.015 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.689 0.309 0.635 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.260 1.369 -0.102 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.669 1.443 -0.115 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.262 2.504 -0.831 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.478 3.447 -1.526 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.093 3.361 -1.515 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -6.406 0.513 0.534 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.759 -0.467 1.174 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.490 2.329 -0.809 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.438 -0.616 1.251 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.744 2.701 -0.928 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -8.231 3.559 -1.658 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -8.557 1.896 -0.185 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -8.166 1.100 0.310 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.555 1.943 -0.342 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.775 -2.250 0.852 0.00 0.00 +0.186 C BRANCH 37 39 ATOM 38 C LIG 1 -1.370 -4.565 1.109 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -1.327 -3.290 1.736 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 9