REMARK Name = BDB051389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.273 0.673 -0.151 0.00 0.00 +0.129 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.032 1.584 0.736 0.00 0.00 -0.293 N ATOM 3 C LIG 1 2.391 1.876 0.561 0.00 0.00 +0.247 C ATOM 4 O LIG 1 3.023 2.684 1.236 0.00 0.00 -0.270 OA BRANCH 3 5 ATOM 5 C LIG 1 3.156 1.141 -0.462 0.00 0.00 +0.040 A ATOM 6 C LIG 1 3.693 -0.108 -0.130 0.00 0.00 +0.059 A ATOM 7 C LIG 1 4.438 -0.815 -1.075 0.00 0.00 +0.124 A ATOM 8 C LIG 1 4.636 -0.262 -2.357 0.00 0.00 -0.009 A ATOM 9 C LIG 1 5.433 -1.003 -3.396 0.00 0.00 +0.047 C ATOM 10 C LIG 1 4.109 1.004 -2.663 0.00 0.00 +0.007 A ATOM 11 C LIG 1 3.376 1.712 -1.714 0.00 0.00 +0.013 A BRANCH 7 12 ATOM 12 O LIG 1 5.007 -2.043 -0.870 0.00 0.00 -0.492 OA BRANCH 12 13 ATOM 13 C LIG 1 5.070 -2.578 0.452 0.00 0.00 +0.231 C BRANCH 13 14 ATOM 14 C LIG 1 6.182 -1.942 1.282 0.00 0.00 +0.069 C BRANCH 14 15 ATOM 15 C LIG 1 7.541 -2.046 0.595 0.00 0.00 +0.163 C BRANCH 15 16 ATOM 16 O LIG 1 8.585 -1.572 1.447 0.00 0.00 -0.383 OA ATOM 17 C LIG 1 8.711 -0.155 1.436 0.00 0.00 +0.193 C ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 3 5 BRANCH 2 18 ATOM 18 C LIG 1 0.324 2.125 1.914 0.00 0.00 +0.070 C ATOM 19 C LIG 1 0.896 1.577 3.224 0.00 0.00 +0.028 C ATOM 20 C LIG 1 0.260 3.654 1.931 0.00 0.00 +0.028 C ENDBRANCH 2 18 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -0.632 1.381 -1.200 0.00 0.00 +0.097 C BRANCH 21 22 ATOM 22 N LIG 1 0.058 2.532 -1.834 0.00 0.00 -0.324 NA ATOM 23 H LIG 1 0.530 3.054 -1.090 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -0.650 3.183 -2.183 0.00 0.00 +0.119 HD ENDBRANCH 21 22 BRANCH 21 25 ATOM 25 C LIG 1 -2.025 1.847 -0.684 0.00 0.00 +0.133 C BRANCH 25 26 ATOM 26 O LIG 1 -2.722 2.544 -1.730 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.508 2.109 -2.574 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -2.945 0.765 -0.096 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 -3.847 -0.019 -1.070 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -3.075 -0.848 -2.093 0.00 0.00 +0.017 C BRANCH 29 33 ATOM 31 N LIG 1 -5.864 -1.389 -0.990 0.00 0.00 -0.315 N ATOM 32 H LIG 1 -6.078 -0.949 -1.875 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -4.768 -0.948 -0.276 0.00 0.00 +0.216 C ATOM 34 O LIG 1 -4.534 -1.296 0.877 0.00 0.00 -0.276 OA BRANCH 31 35 ATOM 35 C LIG 1 -6.877 -2.231 -0.386 0.00 0.00 +0.104 C BRANCH 35 36 ATOM 36 C LIG 1 -7.895 -1.409 0.402 0.00 0.00 +0.018 C BRANCH 36 38 ATOM 37 C LIG 1 -9.982 -1.490 1.811 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -8.960 -2.304 1.034 0.00 0.00 -0.002 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 18