REMARK Name = BDB001142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.321 -0.346 -2.304 0.00 0.00 +0.237 C ATOM 2 N LIG 1 1.198 -0.882 -2.904 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.160 -0.838 -2.366 0.00 0.00 +0.099 C ATOM 4 C LIG 1 -1.034 -1.581 -3.396 0.00 0.00 +0.013 C ATOM 5 C LIG 1 -1.694 -2.739 -2.648 0.00 0.00 +0.007 C ATOM 6 C LIG 1 -0.800 -3.011 -1.450 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.070 -2.002 -4.513 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -0.298 -1.628 -1.038 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.318 -1.920 -3.905 0.00 0.00 +0.108 C ATOM 10 O LIG 1 3.453 -0.759 -2.576 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -1.214 -0.970 -0.122 0.00 0.00 -0.310 N ATOM 12 H LIG 1 -1.895 -0.312 -0.482 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -1.129 -1.159 1.246 0.00 0.00 +0.225 C ATOM 14 O LIG 1 -0.358 -1.989 1.731 0.00 0.00 -0.275 OA BRANCH 13 15 ATOM 15 C LIG 1 -2.087 -0.320 2.124 0.00 0.00 +0.135 C BRANCH 15 16 ATOM 16 C LIG 1 -2.604 0.948 1.431 0.00 0.00 -0.031 A ATOM 17 C LIG 1 -3.868 1.016 0.820 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.275 2.172 0.151 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.426 3.274 0.076 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.168 3.222 0.671 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.760 2.069 1.342 0.00 0.00 +0.005 A ENDBRANCH 15 16 BRANCH 15 22 ATOM 22 C LIG 1 -3.184 -1.157 2.787 0.00 0.00 -0.031 A ATOM 23 C LIG 1 -3.752 -0.709 3.993 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.774 -1.428 4.614 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.247 -2.604 4.038 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.700 -3.060 2.841 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.679 -2.341 2.216 0.00 0.00 +0.005 A ENDBRANCH 15 22 ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 28 ATOM 28 C LIG 1 2.131 0.809 -1.284 0.00 0.00 +0.164 C BRANCH 28 30 ATOM 29 C LIG 1 2.624 0.507 1.138 0.00 0.00 +0.230 C ATOM 30 N LIG 1 3.035 0.493 -0.177 0.00 0.00 -0.302 N ATOM 31 H LIG 1 3.903 0.027 -0.427 0.00 0.00 +0.150 HD ATOM 32 O LIG 1 1.522 0.929 1.487 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C LIG 1 3.666 -0.054 2.129 0.00 0.00 +0.137 C ATOM 34 C LIG 1 3.602 -1.578 2.102 0.00 0.00 +0.034 C BRANCH 33 36 ATOM 35 C LIG 1 3.742 1.821 3.677 0.00 0.00 +0.101 C ATOM 36 N LIG 1 3.399 0.414 3.506 0.00 0.00 -0.309 NA ATOM 37 H LIG 1 2.394 0.301 3.673 0.00 0.00 +0.122 HD ENDBRANCH 33 36 ENDBRANCH 29 33 ENDBRANCH 28 30 BRANCH 28 38 ATOM 38 C LIG 1 2.397 2.222 -1.895 0.00 0.00 -0.011 C ATOM 39 C LIG 1 2.155 3.307 -0.822 0.00 0.00 +0.013 C ATOM 40 C LIG 1 3.838 2.376 -2.418 0.00 0.00 +0.013 C ATOM 41 C LIG 1 1.423 2.495 -3.058 0.00 0.00 +0.013 C ENDBRANCH 28 38 ENDBRANCH 1 28 TORSDOF 9