REMARK Name = BDB046484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.213 -0.926 0.475 0.00 0.00 +0.164 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -2.195 -1.961 1.537 0.00 0.00 -0.271 OA ATOM 3 C LIG 1 -2.187 -0.834 1.057 0.00 0.00 +0.238 C ATOM 4 N LIG 1 -1.087 -0.252 0.498 0.00 0.00 -0.300 N ATOM 5 H LIG 1 -1.076 0.737 0.264 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 -3.409 0.002 1.105 0.00 0.00 +0.068 C ATOM 7 C LIG 1 -3.709 0.945 0.197 0.00 0.00 +0.015 C BRANCH 7 8 ATOM 8 C LIG 1 -4.952 1.720 0.281 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -6.045 1.626 -0.609 0.00 0.00 +0.076 A ATOM 10 C LIG 1 -7.142 2.501 -0.434 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -7.169 3.435 0.604 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -6.097 3.515 1.480 0.00 0.00 +0.042 A ATOM 13 CL LIG 1 -6.119 4.663 2.759 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -4.999 2.673 1.321 0.00 0.00 +0.030 A BRANCH 9 15 ATOM 15 N LIG 1 -6.126 0.694 -1.685 0.00 0.00 -0.200 N ATOM 16 N LIG 1 -7.140 0.751 -2.589 0.00 0.00 -0.039 NA ATOM 17 N LIG 1 -6.920 -0.219 -3.462 0.00 0.00 -0.023 NA ATOM 18 N LIG 1 -5.799 -0.924 -3.137 0.00 0.00 -0.116 NA ATOM 19 C LIG 1 -5.331 -0.367 -2.043 0.00 0.00 +0.250 A ENDBRANCH 9 15 ENDBRANCH 7 8 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 1.284 0.179 0.321 0.00 0.00 +0.238 C ATOM 21 N LIG 1 2.567 -0.245 0.618 0.00 0.00 -0.284 N ATOM 22 H LIG 1 2.674 -1.217 0.893 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 0.958 1.310 -0.042 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 3.762 0.497 0.547 0.00 0.00 +0.033 A ATOM 25 C LIG 1 3.828 1.846 0.196 0.00 0.00 +0.024 A ATOM 26 C LIG 1 5.062 2.509 0.147 0.00 0.00 +0.017 A ATOM 27 C LIG 1 6.243 1.826 0.450 0.00 0.00 +0.059 A ATOM 28 C LIG 1 6.182 0.474 0.802 0.00 0.00 +0.017 A ATOM 29 C LIG 1 4.949 -0.184 0.851 0.00 0.00 +0.024 A BRANCH 27 30 ATOM 30 C LIG 1 7.571 2.485 0.410 0.00 0.00 +0.337 C ATOM 31 O LIG 1 8.637 1.952 0.657 0.00 0.00 -0.245 OA BRANCH 30 32 ATOM 32 O LIG 1 7.501 3.781 0.062 0.00 0.00 -0.477 OA ATOM 33 H LIG 1 8.434 4.081 0.078 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 27 30 ENDBRANCH 21 24 ENDBRANCH 1 20 BRANCH 1 34 ATOM 34 C LIG 1 0.282 -1.945 -0.676 0.00 0.00 +0.067 C BRANCH 34 35 ATOM 35 C LIG 1 1.408 -2.942 -0.530 0.00 0.00 -0.045 A ATOM 36 C LIG 1 2.525 -2.888 -1.375 0.00 0.00 +0.004 A ATOM 37 C LIG 1 3.581 -3.784 -1.206 0.00 0.00 +0.000 A ATOM 38 C LIG 1 3.527 -4.745 -0.198 0.00 0.00 +0.000 A ATOM 39 C LIG 1 2.415 -4.815 0.639 0.00 0.00 +0.000 A ATOM 40 C LIG 1 1.358 -3.920 0.473 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 10