REMARK Name = BDB041365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 1.417 -0.215 0.00 0.00 -0.039 A ATOM 2 C LIG 1 1.704 1.203 -1.592 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.595 1.199 -2.472 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.680 1.422 -1.942 0.00 0.00 +0.024 A ATOM 5 S LIG 1 -1.875 1.371 -3.195 0.00 0.00 -0.096 S ATOM 6 C LIG 1 -0.721 1.058 -4.405 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.885 1.651 -0.558 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.552 0.991 -3.893 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.254 1.648 0.276 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.732 1.435 0.742 0.00 0.00 +0.060 C BRANCH 10 21 ATOM 11 C LIG 1 2.246 -1.514 1.164 0.00 0.00 +0.046 C ATOM 12 C LIG 1 3.562 -1.007 0.637 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.593 -1.923 0.321 0.00 0.00 +0.116 A ATOM 14 N LIG 1 4.621 -3.292 0.423 0.00 0.00 -0.129 NA ATOM 15 N LIG 1 5.806 -3.718 0.011 0.00 0.00 -0.065 NA ATOM 16 N LIG 1 6.517 -2.636 -0.352 0.00 0.00 -0.247 N ATOM 17 C LIG 1 7.855 -2.808 -0.848 0.00 0.00 +0.175 C ATOM 18 C LIG 1 5.809 -1.477 -0.177 0.00 0.00 +0.089 A ATOM 19 C LIG 1 6.090 -0.131 -0.393 0.00 0.00 +0.030 A ATOM 20 C LIG 1 5.074 0.780 -0.083 0.00 0.00 +0.007 A ATOM 21 C LIG 1 3.819 0.386 0.425 0.00 0.00 -0.034 A ENDBRANCH 10 21 BRANCH 10 22 ATOM 22 C LIG 1 3.198 2.875 1.058 0.00 0.00 +0.133 C BRANCH 22 23 ATOM 23 C LIG 1 3.109 3.864 -0.072 0.00 0.00 +0.306 C ATOM 24 O LIG 1 2.389 4.850 -0.094 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 3.951 3.623 -1.090 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 3.746 4.338 -1.730 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 -2.253 1.884 0.059 0.00 0.00 +0.121 C BRANCH 27 28 ATOM 28 N LIG 1 -3.080 0.669 0.133 0.00 0.00 -0.289 NA ATOM 29 C LIG 1 -2.475 -0.353 0.997 0.00 0.00 +0.133 C ATOM 30 C LIG 1 -3.389 -1.522 1.280 0.00 0.00 +0.124 C ATOM 31 C LIG 1 -2.860 -2.627 2.170 0.00 0.00 +0.053 C ATOM 32 C LIG 1 -3.972 -1.749 2.660 0.00 0.00 +0.053 C ATOM 33 O LIG 1 -4.150 -1.999 0.151 0.00 0.00 -0.483 OA ATOM 34 C LIG 1 -5.316 -1.320 -0.088 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -5.523 0.048 0.101 0.00 0.00 +0.101 A ATOM 36 N LIG 1 -6.740 0.624 -0.123 0.00 0.00 -0.213 NA ATOM 37 C LIG 1 -7.729 -0.155 -0.588 0.00 0.00 +0.213 A ATOM 38 C LIG 1 -7.598 -1.506 -0.843 0.00 0.00 +0.070 A ATOM 39 C LIG 1 -6.365 -2.094 -0.586 0.00 0.00 +0.053 A ATOM 40 C LIG 1 -4.445 1.004 0.578 0.00 0.00 +0.144 C BRANCH 37 41 ATOM 41 O LIG 1 -8.911 0.490 -0.799 0.00 0.00 -0.492 OA ATOM 42 H LIG 1 -9.534 -0.145 -1.179 0.00 0.00 +0.294 HD ENDBRANCH 37 41 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 8