REMARK Name = BDB007118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.483 -2.271 -1.048 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.345 -1.620 -0.022 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.902 -0.825 1.080 0.00 0.00 +0.004 A ATOM 4 C LIG 1 2.032 -0.420 1.793 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.931 0.367 2.955 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.659 0.754 3.386 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.484 0.379 2.681 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.135 -0.939 1.135 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.374 -0.423 1.536 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.729 -1.687 0.045 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.679 -2.398 -0.859 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.808 0.831 3.191 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.793 1.012 2.247 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.556 0.980 1.265 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.967 1.050 4.387 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.114 1.503 2.597 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.095 3.012 2.864 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.096 1.099 1.510 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.207 1.796 0.302 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.102 1.380 -0.693 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.911 0.246 -0.521 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.780 -0.456 0.690 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.887 -0.042 1.685 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -7.905 -0.237 -1.591 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -7.538 -1.671 -2.032 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -9.336 -0.235 -1.010 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -7.929 0.639 -2.865 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 4.521 -0.762 1.573 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 5.264 0.261 0.744 0.00 0.00 -0.024 A ATOM 30 C LIG 1 6.402 -0.117 0.008 0.00 0.00 +0.051 A ATOM 31 C LIG 1 7.096 0.822 -0.759 0.00 0.00 +0.122 A ATOM 32 C LIG 1 6.686 2.154 -0.758 0.00 0.00 +0.046 A ATOM 33 C LIG 1 5.565 2.544 -0.028 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.856 1.602 0.716 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 O LIG 1 8.220 0.557 -1.495 0.00 0.00 -0.478 OA BRANCH 35 36 ATOM 36 C LIG 1 8.301 -0.748 -2.087 0.00 0.00 +0.278 C ATOM 37 C LIG 1 8.966 -0.588 -3.448 0.00 0.00 +0.064 C BRANCH 36 38 ATOM 38 C LIG 1 9.158 -1.674 -1.226 0.00 0.00 +0.346 C ATOM 39 O LIG 1 9.236 -2.883 -1.385 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 9.842 -1.020 -0.254 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 9.636 -0.060 -0.282 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10