REMARK Name = BDB025058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.609 1.202 -1.418 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.885 0.478 -0.455 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.583 -0.496 0.420 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.499 0.216 1.431 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.660 -1.428 1.222 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.474 -1.855 0.388 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.726 -0.612 0.003 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.316 -0.564 0.007 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.423 -1.539 0.363 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.780 -1.028 0.191 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.694 0.278 -0.261 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.649 0.588 -0.387 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.337 1.733 -0.796 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.737 1.675 -0.804 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.446 0.528 -0.421 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.149 2.003 -2.225 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.784 1.205 -0.558 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.596 1.602 0.690 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -4.081 1.814 0.395 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.295 2.572 -0.920 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.674 1.840 -2.121 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.661 0.759 -1.736 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -5.768 2.827 -1.158 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -6.706 2.365 -0.532 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.979 3.677 -2.182 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.955 3.760 -2.228 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.720 1.574 -2.391 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.941 0.889 -1.409 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.046 -1.792 0.478 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.246 -2.872 -0.591 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -1.968 -2.396 1.890 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.283 -2.686 2.436 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -3.880 -3.864 2.180 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -5.048 -3.773 2.820 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -5.202 -2.542 3.481 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -4.040 -1.857 3.216 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7