REMARK Name = BDB046135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.481 -1.490 0.605 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -2.431 -0.772 0.060 0.00 0.00 -0.003 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -3.685 -1.453 -0.366 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -4.229 -2.516 0.373 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -5.408 -3.145 -0.040 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -6.072 -2.715 -1.194 0.00 0.00 +0.122 A ATOM 7 C LIG 1 -5.528 -1.671 -1.950 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.348 -1.043 -1.533 0.00 0.00 +0.012 A BRANCH 6 9 ATOM 9 O LIG 1 -7.198 -3.421 -1.552 0.00 0.00 -0.473 OA ATOM 10 C LIG 1 -8.267 -2.618 -2.006 0.00 0.00 +0.252 C ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 11 ATOM 11 C LIG 1 -2.175 0.691 -0.067 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -3.171 1.614 0.278 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -2.935 2.992 0.194 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -1.695 3.474 -0.242 0.00 0.00 +0.122 A ATOM 15 C LIG 1 -0.692 2.558 -0.579 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -0.930 1.182 -0.498 0.00 0.00 +0.012 A BRANCH 14 17 ATOM 17 O LIG 1 -1.341 4.802 -0.337 0.00 0.00 -0.473 OA ATOM 18 C LIG 1 -2.410 5.721 -0.429 0.00 0.00 +0.252 C ENDBRANCH 14 17 ENDBRANCH 2 11 BRANCH 1 19 ATOM 19 C LIG 1 -0.280 -2.208 1.247 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 0.829 -2.720 1.780 0.00 0.00 -0.472 OA BRANCH 20 24 ATOM 21 C LIG 1 4.152 -0.383 0.885 0.00 0.00 -0.036 A ATOM 22 C LIG 1 4.187 -1.766 0.711 0.00 0.00 +0.008 A ATOM 23 C LIG 1 3.066 -2.535 1.032 0.00 0.00 +0.046 A ATOM 24 C LIG 1 1.914 -1.916 1.517 0.00 0.00 +0.122 A ATOM 25 C LIG 1 1.902 -0.535 1.740 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.017 0.231 1.408 0.00 0.00 +0.008 A BRANCH 21 27 ATOM 27 C LIG 1 5.269 0.429 0.525 0.00 0.00 +0.059 C BRANCH 27 28 ATOM 28 C LIG 1 6.340 1.381 0.160 0.00 0.00 +0.244 C BRANCH 28 29 ATOM 29 C LIG 1 5.784 2.745 -0.365 0.00 0.00 +0.385 C ATOM 30 O LIG 1 4.712 3.177 0.159 0.00 0.00 -0.243 OA ATOM 31 O LIG 1 6.481 3.274 -1.283 0.00 0.00 -0.243 OA ENDBRANCH 28 29 BRANCH 28 32 ATOM 32 O LIG 1 7.148 1.657 1.315 0.00 0.00 -0.351 OA BRANCH 32 34 ATOM 33 C LIG 1 9.368 -0.158 1.470 0.00 0.00 +0.035 C ATOM 34 C LIG 1 8.177 0.821 1.377 0.00 0.00 +0.142 C ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12