REMARK Name = BDB017436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.186 0.507 1.109 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.758 0.685 2.438 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.384 0.665 2.710 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.414 0.498 1.731 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.836 0.552 2.429 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.640 0.711 3.750 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.836 0.318 0.401 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.692 0.779 3.882 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.074 0.900 4.812 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.210 0.332 0.114 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.931 0.151 -2.549 0.00 0.00 +0.120 A ATOM 12 C LIG 1 7.198 0.377 -1.377 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.302 -0.596 -0.951 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.372 -0.684 0.227 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.652 0.548 0.740 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.733 -2.048 0.090 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.223 -2.606 -1.079 0.00 0.00 -0.284 N ATOM 18 H LIG 1 4.961 -3.529 -1.388 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 3.966 -2.566 0.884 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.705 -0.138 1.585 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.156 -1.774 -1.698 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.861 -2.028 -2.853 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.757 -1.044 -3.276 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 9.068 2.238 -2.412 0.00 0.00 +0.277 C ATOM 25 O LIG 1 8.846 1.011 -3.095 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.188 0.451 1.881 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.539 1.087 0.690 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -3.841 0.975 0.179 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -4.841 0.236 0.832 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -4.467 -0.387 2.032 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.169 -0.280 2.554 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -6.120 0.125 0.313 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -7.062 -0.906 0.778 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -8.136 -1.180 -0.300 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -8.961 -0.003 -0.650 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -9.492 -0.133 -2.003 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -8.202 1.254 -0.475 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -6.665 1.139 -0.607 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4