REMARK Name = BDB024987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.361 -0.377 -0.996 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.111 -0.607 -1.600 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.155 -1.503 -2.771 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.416 -2.956 -2.340 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.919 -1.400 -3.661 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.669 -1.635 -2.841 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.633 -0.667 -1.694 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.384 -0.258 -1.170 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.869 -0.672 -1.527 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -1.714 -0.064 -0.714 0.00 0.00 +0.155 A ATOM 11 N LIG 1 -1.046 0.864 0.062 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.312 0.687 -0.160 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.462 1.261 0.380 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.699 0.829 -0.123 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.824 -0.156 -1.116 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.431 -0.619 -1.554 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.619 1.850 0.971 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.208 3.304 0.660 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.076 4.182 1.909 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.103 3.877 3.006 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.176 2.390 3.380 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.395 1.472 2.439 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -3.480 4.385 2.627 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.960 4.437 1.508 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.198 4.766 3.701 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.058 5.054 3.328 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -3.253 -0.521 -0.763 0.00 0.00 +0.169 C ATOM 28 C LIG 1 -4.298 -0.105 0.248 0.00 0.00 +0.060 C ATOM 29 C LIG 1 -4.247 0.584 -1.082 0.00 0.00 +0.060 C BRANCH 27 30 ATOM 30 O LIG 1 -3.577 -1.784 -1.423 0.00 0.00 -0.462 OA BRANCH 30 31 ATOM 31 C LIG 1 -3.066 -2.885 -0.754 0.00 0.00 +0.216 A ATOM 32 N LIG 1 -3.002 -2.867 0.598 0.00 0.00 -0.221 NA ATOM 33 C LIG 1 -2.510 -3.977 1.187 0.00 0.00 +0.114 A ATOM 34 C LIG 1 -2.102 -5.106 0.493 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -2.205 -5.102 -0.894 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -2.701 -3.971 -1.534 0.00 0.00 +0.067 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 6.583 0.223 0.919 0.00 0.00 +0.282 C ATOM 38 O LIG 1 5.310 0.059 0.293 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 7