REMARK Name = BDB013407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.786 1.428 0.988 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.573 1.318 2.376 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.703 1.116 3.347 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.738 1.386 2.868 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.822 1.560 2.005 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.633 1.677 0.620 0.00 0.00 -0.039 A ATOM 7 C LIG 1 0.320 1.623 0.133 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.165 1.346 0.356 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.565 -1.777 -0.151 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.482 -0.950 0.576 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.271 -0.131 -0.181 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.913 0.594 -1.320 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -5.861 1.417 -1.955 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -7.158 1.520 -1.454 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.512 0.815 -0.310 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -3.274 0.628 -1.996 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.014 1.990 -2.420 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.179 -0.467 -2.937 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.239 0.307 -0.704 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.572 0.003 0.325 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.188 -1.096 -0.204 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -3.136 -3.112 2.024 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.506 -3.150 0.546 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.856 1.853 -0.283 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.814 0.643 -0.253 0.00 0.00 -0.034 A ATOM 26 C LIG 1 3.428 -0.698 -0.545 0.00 0.00 -0.017 A ATOM 27 C LIG 1 2.019 -1.106 -0.867 0.00 0.00 +0.046 C ATOM 28 C LIG 1 4.434 -1.692 -0.470 0.00 0.00 +0.116 A ATOM 29 N LIG 1 4.349 -3.049 -0.673 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 5.551 -3.576 -0.492 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 6.388 -2.569 -0.186 0.00 0.00 -0.247 N ATOM 32 C LIG 1 7.774 -2.857 0.067 0.00 0.00 +0.175 C ATOM 33 C LIG 1 5.744 -1.362 -0.147 0.00 0.00 +0.089 A ATOM 34 C LIG 1 6.153 -0.062 0.131 0.00 0.00 +0.030 A ATOM 35 C LIG 1 5.164 0.923 0.073 0.00 0.00 +0.007 A ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 2.561 2.310 -1.725 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 3.790 2.851 -2.404 0.00 0.00 +0.306 C ATOM 38 O LIG 1 4.685 3.505 -1.895 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 3.803 2.589 -3.725 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 4.630 3.002 -4.049 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 6 24 TORSDOF 8