REMARK Name = BDB004792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.592 -1.476 -1.430 0.00 0.00 +0.128 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.394 -0.319 -1.476 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.486 -0.294 -0.590 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.427 0.747 -0.620 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.271 1.769 -1.555 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.187 1.762 -2.437 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.254 0.727 -2.398 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.487 0.681 0.309 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.460 -0.102 0.947 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.491 1.613 0.505 0.00 0.00 +0.248 C ATOM 11 O LIG 1 4.616 2.693 -0.057 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 5.489 1.242 1.548 0.00 0.00 +0.037 A ATOM 13 C LIG 1 6.016 2.255 2.358 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.951 1.945 3.347 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.370 0.626 3.522 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.862 -0.384 2.704 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.926 -0.080 1.714 0.00 0.00 +0.013 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 N LIG 1 -1.987 -0.999 -1.426 0.00 0.00 -0.319 N ATOM 19 H LIG 1 -2.588 -1.771 -1.719 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.489 -0.514 -0.197 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -3.813 -0.027 -0.144 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -4.269 0.430 1.108 0.00 0.00 +0.088 A ATOM 23 C LIG 1 -5.595 0.909 1.183 0.00 0.00 +0.063 A ATOM 24 C LIG 1 -6.429 0.939 0.047 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -5.964 0.502 -1.182 0.00 0.00 +0.002 A ATOM 26 N LIG 1 -3.450 0.404 2.183 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -2.207 -0.059 2.013 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -4.665 0.024 -1.276 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -1.690 -0.528 0.880 0.00 0.00 -0.220 NA BRANCH 23 30 ATOM 30 C LIG 1 -6.214 1.416 2.448 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -7.375 1.812 2.482 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -5.458 1.434 3.581 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -5.861 1.789 4.436 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -4.490 1.123 3.566 0.00 0.00 +0.145 HD ENDBRANCH 23 30 ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 35 ATOM 35 C LIG 1 -0.391 -2.384 -2.670 0.00 0.00 +0.186 C BRANCH 35 37 ATOM 36 C LIG 1 -1.157 -4.360 -3.714 0.00 0.00 +0.194 C ATOM 37 O LIG 1 -1.310 -3.489 -2.601 0.00 0.00 -0.381 OA ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8