REMARK Name = BDB041607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.552 0.716 -1.950 0.00 0.00 +0.013 A ATOM 2 C LIG 1 0.809 0.082 -0.967 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -0.631 0.225 -0.608 0.00 0.00 +0.151 C ATOM 4 N LIG 1 -0.808 -0.697 0.506 0.00 0.00 -0.263 N ATOM 5 C LIG 1 0.390 -1.353 0.811 0.00 0.00 +0.251 C ATOM 6 O LIG 1 0.651 -2.192 1.653 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.404 -0.852 -0.126 0.00 0.00 +0.043 A ATOM 8 C LIG 1 2.737 -1.202 -0.220 0.00 0.00 +0.018 A ATOM 9 C LIG 1 3.510 -0.585 -1.214 0.00 0.00 -0.032 A ATOM 10 C LIG 1 2.905 0.361 -2.076 0.00 0.00 +0.020 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.057 -0.860 1.169 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.199 -0.161 0.729 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.470 -0.276 1.342 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.545 -1.144 2.447 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.435 -1.849 2.905 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.202 -1.706 2.269 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.779 0.508 0.824 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.418 1.498 1.862 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.591 2.554 0.752 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.991 2.750 0.194 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.607 1.748 -0.119 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -6.823 -0.544 0.246 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -6.645 -1.412 -0.797 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.479 -1.589 -1.617 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.804 -2.117 -0.903 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.648 -1.715 0.017 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -8.027 -0.732 0.749 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 4 11 BRANCH 1 29 ATOM 28 C LIG 1 1.897 3.319 -2.794 0.00 0.00 +0.090 C ATOM 29 S LIG 1 0.791 1.901 -3.039 0.00 0.00 -0.128 S ENDBRANCH 1 29 BRANCH 9 30 ATOM 30 C LIG 1 4.972 -0.951 -1.380 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.757 -0.733 -0.158 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 7.005 -1.510 -0.199 0.00 0.00 +0.088 C ATOM 33 C LIG 1 8.018 -1.032 0.851 0.00 0.00 +0.000 C ATOM 34 C LIG 1 9.240 -1.946 0.901 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.432 0.422 0.576 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.348 1.208 -0.160 0.00 0.00 +0.016 C ATOM 37 C LIG 1 5.951 0.687 0.168 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 9 30 TORSDOF 6