REMARK Name = BDB038836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.091 1.218 0.455 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -3.397 1.158 1.006 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -4.111 2.365 1.227 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -3.521 3.591 0.878 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.241 3.633 0.333 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.528 2.454 0.124 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.997 -0.152 1.349 0.00 0.00 -0.011 A ATOM 8 C LIG 1 -4.650 -0.949 0.366 0.00 0.00 -0.036 A ATOM 9 C LIG 1 -5.200 -2.173 0.815 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.111 -2.600 2.142 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -4.457 -1.814 3.079 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.902 -0.601 2.684 0.00 0.00 +0.009 A BRANCH 8 13 ATOM 13 C LIG 1 -4.737 -0.505 -1.180 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -5.924 -0.979 -2.061 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -5.004 -2.050 -2.668 0.00 0.00 +0.001 C ATOM 16 C LIG 1 -3.799 -1.226 -2.187 0.00 0.00 +0.008 C ENDBRANCH 8 13 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 O LIG 1 -1.466 0.010 0.272 0.00 0.00 -0.488 OA BRANCH 17 20 ATOM 18 C LIG 1 1.694 -1.531 -0.698 0.00 0.00 +0.077 C ATOM 19 C LIG 1 0.460 -1.408 0.195 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -0.107 -0.027 -0.132 0.00 0.00 +0.175 C ATOM 21 C LIG 1 0.061 0.022 -1.645 0.00 0.00 +0.046 C ATOM 22 C LIG 1 1.438 -0.588 -1.887 0.00 0.00 +0.026 C BRANCH 18 24 ATOM 23 C LIG 1 4.160 -1.475 -0.490 0.00 0.00 +0.230 C ATOM 24 N LIG 1 2.906 -1.166 0.019 0.00 0.00 -0.311 N ATOM 25 H LIG 1 2.843 -0.510 0.786 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 4.300 -2.139 -1.512 0.00 0.00 -0.274 OA BRANCH 23 29 ATOM 27 C LIG 1 7.112 -2.590 0.130 0.00 0.00 +0.105 C ATOM 28 N LIG 1 6.643 -1.250 -0.193 0.00 0.00 -0.294 NA ATOM 29 C LIG 1 5.318 -0.945 0.384 0.00 0.00 +0.143 C ATOM 30 C LIG 1 5.297 0.590 0.508 0.00 0.00 +0.036 C ATOM 31 C LIG 1 6.702 1.060 0.088 0.00 0.00 -0.020 C ATOM 32 C LIG 1 7.207 2.212 0.959 0.00 0.00 +0.012 C ATOM 33 C LIG 1 6.696 1.505 -1.387 0.00 0.00 +0.012 C ATOM 34 C LIG 1 7.545 -0.205 0.283 0.00 0.00 +0.091 C ENDBRANCH 23 29 ENDBRANCH 18 24 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 3 35 ATOM 35 C LIG 1 -5.515 2.382 1.804 0.00 0.00 +0.156 C BRANCH 35 36 ATOM 36 C LIG 1 -6.596 2.098 0.792 0.00 0.00 +0.309 C ATOM 37 O LIG 1 -6.560 2.265 -0.416 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -7.736 1.669 1.376 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -8.340 1.519 0.618 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 3 35 TORSDOF 9