REMARK Name = BDB032167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.839 2.500 0.236 0.00 0.00 +0.126 A ATOM 2 C LIG 1 4.107 1.151 0.382 0.00 0.00 +0.024 A ATOM 3 C LIG 1 5.175 0.326 -0.253 0.00 0.00 +0.148 C ATOM 4 N LIG 1 4.970 -0.985 0.356 0.00 0.00 -0.281 N ATOM 5 C LIG 1 3.831 -1.017 1.147 0.00 0.00 +0.248 C ATOM 6 O LIG 1 3.338 -1.975 1.711 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 3.309 0.352 1.197 0.00 0.00 +0.045 A ATOM 8 C LIG 1 2.224 0.842 1.896 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.942 2.209 1.779 0.00 0.00 -0.006 A ATOM 10 C LIG 1 2.749 3.025 0.945 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 5.615 -2.201 -0.120 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.122 -2.615 -1.517 0.00 0.00 +0.240 C ATOM 13 O LIG 1 4.139 -2.140 -2.080 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 5.872 -3.589 -2.139 0.00 0.00 -0.255 N ATOM 15 H LIG 1 5.550 -3.844 -3.063 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.191 -3.871 -1.892 0.00 0.00 +0.219 C ATOM 17 O LIG 1 7.873 -4.482 -2.709 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.742 -3.413 -0.562 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.136 -2.081 -0.146 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 4.351 4.555 -0.833 0.00 0.00 +0.277 C ATOM 21 O LIG 1 4.674 3.190 -0.591 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.760 2.806 2.501 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 -0.423 2.628 1.715 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -0.777 3.667 0.925 0.00 0.00 +0.405 C ATOM 25 N LIG 1 -1.913 3.481 0.185 0.00 0.00 -0.250 N ATOM 26 H LIG 1 -2.135 4.302 -0.362 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 -0.162 4.727 0.852 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 -2.783 2.382 0.070 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -2.644 1.150 0.688 0.00 0.00 +0.136 A ATOM 30 N LIG 1 -3.518 0.118 0.548 0.00 0.00 -0.238 NA ATOM 31 C LIG 1 -4.606 0.272 -0.236 0.00 0.00 +0.122 A ATOM 32 C LIG 1 -4.801 1.477 -0.909 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -3.894 2.531 -0.754 0.00 0.00 +0.028 A BRANCH 31 34 ATOM 34 N LIG 1 -5.492 -0.803 -0.395 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -6.939 -0.510 -0.406 0.00 0.00 +0.072 C ATOM 36 C LIG 1 -7.491 -0.703 -1.821 0.00 0.00 +0.028 C ATOM 37 C LIG 1 -7.683 -1.390 0.611 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.429 -2.884 0.419 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -6.004 -3.185 -0.041 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -5.048 -2.038 0.272 0.00 0.00 +0.107 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7