REMARK Name = BDB006393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.502 -0.469 -1.032 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.221 -0.905 0.272 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.100 -0.387 0.960 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.552 -0.618 2.260 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.569 0.190 2.387 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -0.727 0.881 1.200 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -1.503 0.332 3.541 0.00 0.00 +0.064 C ATOM 8 C LIG 1 1.083 -1.548 3.296 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.286 0.547 0.316 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.547 0.977 -0.997 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.661 0.452 -1.659 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.766 -1.363 -1.040 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.812 -1.068 -0.075 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.674 -0.986 -1.791 0.00 0.00 +0.244 C ATOM 15 O LIG 1 3.643 -1.027 -3.016 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 6.018 -1.734 -1.662 0.00 0.00 +0.139 C BRANCH 16 20 ATOM 17 C LIG 1 9.953 0.596 0.477 0.00 0.00 +0.044 C ATOM 18 C LIG 1 8.875 0.557 -0.565 0.00 0.00 -0.050 A ATOM 19 C LIG 1 7.984 -0.523 -0.624 0.00 0.00 +0.008 A ATOM 20 C LIG 1 6.995 -0.588 -1.618 0.00 0.00 -0.030 A ATOM 21 C LIG 1 6.906 0.450 -2.556 0.00 0.00 +0.005 A ATOM 22 C LIG 1 7.798 1.520 -2.513 0.00 0.00 +0.001 A ATOM 23 C LIG 1 8.783 1.570 -1.526 0.00 0.00 +0.003 A ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -1.778 1.863 0.925 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -3.120 1.231 0.639 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -3.270 0.240 -0.341 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.525 -0.315 -0.608 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.666 0.112 0.086 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -5.514 1.111 1.059 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -4.260 1.667 1.328 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.983 -0.484 -0.187 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -8.061 0.237 -0.740 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -9.322 -0.358 -0.901 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.517 -1.691 -0.548 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.459 -2.429 -0.025 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.208 -1.831 0.156 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -7.942 1.645 -1.164 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -8.695 2.548 -0.853 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -6.936 1.819 -2.037 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -6.966 2.771 -2.261 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 8