REMARK Name = BDB003974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.489 -0.401 0.180 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.682 -0.066 1.527 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -3.058 0.016 1.759 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -3.561 0.350 2.999 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.638 0.598 4.022 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.252 0.511 3.787 0.00 0.00 +0.002 A ATOM 7 N LIG 1 -3.716 -0.273 0.552 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -0.758 0.177 2.523 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.746 -0.486 -0.453 0.00 0.00 +0.331 A ATOM 10 O LIG 1 -2.957 -0.688 -1.639 0.00 0.00 -0.246 OA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -5.147 -0.188 0.309 0.00 0.00 +0.178 C ATOM 12 C LIG 1 -5.430 1.151 -0.399 0.00 0.00 +0.242 C ATOM 13 O LIG 1 -4.746 2.162 -0.208 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.567 1.296 -1.153 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.650 2.302 -1.263 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.761 0.785 -0.722 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.605 1.488 -0.177 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.997 -0.668 -1.056 0.00 0.00 +0.096 C ATOM 19 C LIG 1 -7.160 -1.635 -0.239 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -5.659 -1.432 -0.427 0.00 0.00 +0.035 C ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.222 -0.452 -0.507 0.00 0.00 +0.128 C BRANCH 21 22 ATOM 22 C LIG 1 0.167 0.913 -1.075 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 1.506 0.862 -1.798 0.00 0.00 +0.107 C BRANCH 23 27 ATOM 24 N LIG 1 4.780 0.316 -0.331 0.00 0.00 -0.269 N ATOM 25 H LIG 1 4.396 0.387 0.599 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 3.849 0.311 -1.347 0.00 0.00 +0.304 C ATOM 27 N LIG 1 2.615 0.722 -0.869 0.00 0.00 -0.299 N ATOM 28 H LIG 1 2.683 1.449 -0.171 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 4.031 -0.016 -2.511 0.00 0.00 -0.253 OA BRANCH 24 35 ATOM 30 C LIG 1 10.413 -0.774 -0.516 0.00 0.00 +0.045 C ATOM 31 C LIG 1 8.939 -0.489 -0.462 0.00 0.00 -0.032 A ATOM 32 C LIG 1 8.258 -0.311 0.749 0.00 0.00 +0.046 A ATOM 33 CL LIG 1 9.078 -0.406 2.268 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 6.883 -0.048 0.766 0.00 0.00 +0.043 A ATOM 35 C LIG 1 6.159 0.040 -0.428 0.00 0.00 +0.036 A ATOM 36 C LIG 1 6.834 -0.130 -1.636 0.00 0.00 +0.024 A ATOM 37 C LIG 1 8.209 -0.394 -1.654 0.00 0.00 +0.006 A ENDBRANCH 24 35 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6