REMARK Name = BDB009082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.264 1.826 0.220 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.386 1.347 -0.765 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.880 1.926 -0.961 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.245 3.022 -0.172 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.381 3.501 0.812 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.865 2.901 1.011 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 3.623 2.481 1.906 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.555 1.494 1.183 0.00 0.00 +0.250 C ATOM 9 N LIG 1 2.502 1.167 0.350 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.676 0.408 -0.294 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 4.676 0.556 1.086 0.00 0.00 +0.062 A ATOM 12 C LIG 1 4.680 -0.867 0.874 0.00 0.00 +0.012 A ATOM 13 C LIG 1 6.015 -1.277 0.829 0.00 0.00 +0.047 A ATOM 14 C LIG 1 6.397 -2.608 0.616 0.00 0.00 +0.026 A ATOM 15 C LIG 1 5.385 -3.558 0.460 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.045 -3.192 0.525 0.00 0.00 +0.001 A ATOM 17 N LIG 1 6.792 -0.164 1.045 0.00 0.00 -0.360 N ATOM 18 H LIG 1 7.802 -0.168 1.087 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.679 -1.857 0.737 0.00 0.00 +0.011 A ATOM 20 C LIG 1 6.001 0.935 1.221 0.00 0.00 +0.096 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 21 ATOM 21 C LIG 1 -1.794 1.402 -2.045 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -3.245 1.230 -1.606 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.647 0.005 -0.844 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -2.636 -1.044 -0.476 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -3.153 -2.059 0.547 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -4.578 -2.491 0.226 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.523 -1.288 0.208 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -4.947 -0.102 -0.515 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -5.898 0.979 -0.876 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -7.086 0.921 -0.576 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -5.369 2.038 -1.561 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -6.003 2.787 -1.819 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -4.070 2.179 -1.936 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 4