REMARK Name = BDB014605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.352 -0.378 0.113 0.00 0.00 +0.324 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.116 -0.033 -0.733 0.00 0.00 +0.251 C ATOM 3 N LIG 1 1.062 0.064 -0.009 0.00 0.00 -0.310 N ATOM 4 H LIG 1 0.984 0.352 0.961 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -0.150 0.125 -1.952 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 2.260 0.560 -0.668 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 3.504 0.449 0.218 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 3.239 1.081 1.484 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 3.952 0.746 2.069 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 3.933 -1.012 0.476 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 5.087 -1.043 1.407 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 5.184 -2.365 2.063 0.00 0.00 +0.120 C ATOM 13 C LIG 1 6.407 -2.503 2.949 0.00 0.00 -0.030 A ATOM 14 C LIG 1 7.534 -1.685 2.751 0.00 0.00 -0.042 A ATOM 15 C LIG 1 8.666 -1.846 3.563 0.00 0.00 +0.004 A ATOM 16 C LIG 1 8.686 -2.824 4.557 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.578 -3.648 4.744 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.499 -0.590 1.715 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.448 -3.496 3.940 0.00 0.00 +0.005 A ATOM 20 C LIG 1 6.356 -0.767 0.706 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -2.546 0.292 -0.276 0.00 0.00 -0.482 OA BRANCH 21 24 ATOM 22 C LIG 1 -5.408 -0.073 -2.571 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -4.597 0.403 -1.488 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.348 -0.233 -1.255 0.00 0.00 +0.126 A ATOM 25 C LIG 1 -2.960 -1.327 -2.037 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.780 -1.806 -3.049 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -4.989 -1.181 -3.316 0.00 0.00 +0.024 A BRANCH 23 28 ATOM 28 C LIG 1 -5.107 1.573 -0.622 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -4.822 1.574 0.905 0.00 0.00 +0.089 C ATOM 30 N LIG 1 -3.581 2.231 1.336 0.00 0.00 -0.315 NA ATOM 31 H LIG 1 -2.818 1.664 0.958 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 -3.452 3.573 0.770 0.00 0.00 +0.081 C ATOM 33 C LIG 1 -3.484 3.539 -0.755 0.00 0.00 +0.016 C ATOM 34 C LIG 1 -4.792 2.941 -1.259 0.00 0.00 +0.011 C ENDBRANCH 23 28 BRANCH 22 37 ATOM 35 C LIG 1 -8.675 1.252 -3.940 0.00 0.00 +0.109 C ATOM 36 C LIG 1 -7.582 0.220 -3.823 0.00 0.00 +0.214 C ATOM 37 N LIG 1 -6.611 0.603 -2.913 0.00 0.00 -0.285 N ATOM 38 H LIG 1 -6.786 1.482 -2.449 0.00 0.00 +0.155 HD ATOM 39 O LIG 1 -7.634 -0.820 -4.468 0.00 0.00 -0.276 OA ENDBRANCH 22 37 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 10