REMARK Name = BDB064465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.089 0.800 0.195 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.518 1.743 -0.900 0.00 0.00 +0.260 C ATOM 3 O LIG 1 0.688 1.900 -1.119 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.365 2.616 -1.538 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -0.843 3.297 -2.075 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.708 2.877 -1.236 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.611 1.938 -0.726 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.901 2.349 -0.344 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.311 3.669 -0.533 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -4.440 4.584 -1.113 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.296 0.484 -0.686 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.148 4.189 -1.467 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.193 -0.022 -0.266 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.331 -0.485 -1.175 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.118 -0.201 -2.299 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.071 -1.124 -2.734 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.232 -2.334 -2.059 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.435 -2.630 -0.953 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.481 -1.710 -0.514 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 0.517 -1.058 0.030 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.114 -0.090 0.786 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.274 -0.326 1.751 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 0.488 -1.148 -1.191 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.163 -1.909 1.787 0.00 0.00 -0.021 A ATOM 25 C LIG 1 1.158 -2.139 0.826 0.00 0.00 +0.041 A ATOM 26 C LIG 1 0.694 -3.440 0.579 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.199 -4.517 1.304 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.172 -4.301 2.276 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.653 -3.011 2.513 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 2.764 -0.541 2.038 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 7.125 -0.424 0.154 0.00 0.00 +0.039 C ATOM 32 C LIG 1 5.865 0.262 0.665 0.00 0.00 +0.129 C ATOM 33 O LIG 1 5.803 1.562 0.053 0.00 0.00 -0.374 OA ATOM 34 C LIG 1 4.459 2.042 -0.121 0.00 0.00 +0.175 C ATOM 35 C LIG 1 3.503 1.502 0.949 0.00 0.00 +0.113 C ATOM 36 N LIG 1 3.359 0.041 0.841 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 4.610 -0.597 0.392 0.00 0.00 +0.116 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5