REMARK Name = BDB002400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.138 -0.650 -0.071 0.00 0.00 +0.160 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.206 0.091 -0.465 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.042 -0.486 -0.907 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.007 -0.918 -1.828 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.320 0.560 0.668 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.361 0.108 -1.495 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -4.402 -0.429 -0.207 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -3.582 0.514 -0.794 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -3.507 1.400 -0.312 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -4.301 -1.635 -0.441 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.524 0.142 0.704 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -4.963 1.032 1.810 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -7.660 -0.707 1.508 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -6.244 -0.993 1.327 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -6.144 -1.802 0.703 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -2.041 1.026 -2.696 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -1.880 2.500 -2.309 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -3.107 0.887 -3.787 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 2.374 -0.193 -0.885 0.00 0.00 +0.238 C ATOM 20 N LIG 1 3.476 0.059 -0.080 0.00 0.00 -0.283 N ATOM 21 H LIG 1 3.315 -0.005 0.913 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 2.327 -0.111 -2.111 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 4.788 0.442 -0.472 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.773 0.712 0.537 0.00 0.00 +0.003 A ATOM 25 C LIG 1 7.081 1.083 0.123 0.00 0.00 -0.016 A ATOM 26 C LIG 1 8.081 1.357 1.071 0.00 0.00 +0.008 A ATOM 27 C LIG 1 7.823 1.275 2.435 0.00 0.00 +0.001 A ATOM 28 C LIG 1 6.556 0.917 2.870 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.388 1.180 -1.239 0.00 0.00 +0.008 A ATOM 30 C LIG 1 6.427 0.915 -2.205 0.00 0.00 +0.002 A ATOM 31 C LIG 1 5.550 0.641 1.939 0.00 0.00 +0.010 A ATOM 32 C LIG 1 5.139 0.549 -1.824 0.00 0.00 +0.024 A ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 1.328 -2.108 0.388 0.00 0.00 +0.041 C BRANCH 33 34 ATOM 34 C LIG 1 0.135 -2.671 1.165 0.00 0.00 +0.098 C BRANCH 34 35 ATOM 35 C LIG 1 -1.027 -3.034 0.262 0.00 0.00 +0.211 C ATOM 36 O LIG 1 -0.911 -3.310 -0.927 0.00 0.00 -0.276 OA ATOM 37 N LIG 1 -2.241 -3.053 0.883 0.00 0.00 -0.329 N ATOM 38 H LIG 1 -2.395 -2.483 1.704 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -3.042 -3.071 0.250 0.00 0.00 +0.145 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 11