REMARK Name = BDB031784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.756 -2.345 -0.195 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.064 -1.683 -1.228 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.723 -1.341 -1.026 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.024 -1.649 0.133 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.288 -1.112 -0.065 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.388 -0.533 -1.266 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.696 -2.350 1.152 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.176 -0.679 -1.813 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.023 -0.298 -2.740 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.046 -2.686 0.969 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.158 2.067 -0.187 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.151 0.699 0.109 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.042 -0.138 -0.551 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.287 -1.621 -0.506 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.221 -2.688 -0.350 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.427 -1.834 -1.476 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.750 -0.595 -2.001 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.488 -0.465 -2.675 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.945 -2.908 -1.731 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.199 -2.402 0.773 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.947 0.415 -1.469 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.000 1.760 -1.765 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.087 2.588 -1.109 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.194 2.502 1.078 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.319 3.001 0.361 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.256 -1.238 0.871 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -2.047 -1.724 1.734 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.482 -0.537 1.005 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.405 -1.022 1.931 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.595 -0.333 1.990 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -5.886 0.734 1.221 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -4.941 1.136 0.356 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -3.752 0.534 0.235 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -5.207 2.247 -0.452 0.00 0.00 -0.295 N ATOM 35 C LIG 1 -6.510 2.613 -0.924 0.00 0.00 +0.141 C ATOM 36 C LIG 1 -5.785 3.408 -2.030 0.00 0.00 +0.149 C ATOM 37 C LIG 1 -4.599 2.467 -1.733 0.00 0.00 +0.141 C BRANCH 36 38 ATOM 38 O LIG 1 -5.575 4.821 -1.786 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 -5.172 4.844 -0.898 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -4.040 -2.099 2.691 0.00 0.00 -0.490 OA ATOM 41 C LIG 1 -5.042 -2.644 3.542 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7