REMARK Name = BDB004388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.353 -1.738 -0.889 0.00 0.00 +0.118 C ATOM 2 C LIG 1 0.150 -1.470 -0.719 0.00 0.00 +0.141 C ATOM 3 C LIG 1 0.869 -2.560 -1.523 0.00 0.00 +0.118 C ATOM 4 C LIG 1 0.415 -3.979 -1.134 0.00 0.00 +0.096 C ATOM 5 N LIG 1 -0.622 -4.045 -0.096 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.172 -3.741 0.776 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.738 -3.120 -0.326 0.00 0.00 +0.096 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 -3.553 -0.778 -0.528 0.00 0.00 -0.310 N ATOM 9 H LIG 1 -3.848 -1.446 -1.226 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -2.205 -0.643 -0.264 0.00 0.00 +0.220 C ATOM 11 O LIG 1 -1.735 0.270 0.410 0.00 0.00 -0.275 OA BRANCH 8 12 ATOM 12 C LIG 1 -4.567 0.145 0.002 0.00 0.00 +0.099 C BRANCH 12 13 ATOM 13 C LIG 1 -4.659 1.394 -0.901 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 O LIG 1 -5.034 2.563 -0.167 0.00 0.00 -0.378 OA BRANCH 14 16 ATOM 15 C LIG 1 -3.273 4.202 -0.467 0.00 0.00 +0.034 C ATOM 16 C LIG 1 -3.940 3.217 0.480 0.00 0.00 +0.156 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 12 13 BRANCH 12 17 ATOM 17 C LIG 1 -5.884 -0.652 0.133 0.00 0.00 +0.027 C BRANCH 17 18 ATOM 18 C LIG 1 -7.080 -0.045 0.887 0.00 0.00 -0.015 C ATOM 19 C LIG 1 -6.704 0.595 2.216 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -7.917 0.901 0.031 0.00 0.00 +0.007 C ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 2.387 -2.509 -1.627 0.00 0.00 +0.228 C ATOM 22 N LIG 1 3.089 -1.931 -0.574 0.00 0.00 -0.253 N ATOM 23 O LIG 1 2.953 -3.075 -2.563 0.00 0.00 -0.275 OA BRANCH 22 24 ATOM 24 C LIG 1 3.531 -0.584 -0.819 0.00 0.00 +0.131 A ATOM 25 N LIG 1 2.827 0.150 -1.716 0.00 0.00 -0.239 NA ATOM 26 C LIG 1 3.229 1.415 -1.962 0.00 0.00 +0.120 A ATOM 27 C LIG 1 4.314 2.025 -1.353 0.00 0.00 +0.012 A ATOM 28 C LIG 1 5.029 1.268 -0.418 0.00 0.00 +0.128 A ATOM 29 C LIG 1 4.634 -0.045 -0.158 0.00 0.00 +0.090 A BRANCH 27 30 ATOM 30 C LIG 1 4.681 3.443 -1.705 0.00 0.00 +0.037 C ATOM 31 C LIG 1 4.099 4.451 -0.736 0.00 0.00 +0.009 C ENDBRANCH 27 30 BRANCH 28 32 ATOM 32 O LIG 1 6.091 1.898 0.170 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 6.920 1.193 1.101 0.00 0.00 +0.225 C ATOM 34 C LIG 1 7.996 0.390 0.375 0.00 0.00 +0.048 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 24 BRANCH 22 35 ATOM 35 C LIG 1 3.893 -2.824 0.236 0.00 0.00 +0.083 C ATOM 36 C LIG 1 3.212 -3.734 1.235 0.00 0.00 +0.025 C ATOM 37 C LIG 1 4.097 -2.640 1.724 0.00 0.00 +0.025 C ENDBRANCH 22 35 ENDBRANCH 3 21 BRANCH 2 38 ATOM 38 O LIG 1 0.494 -1.518 0.676 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 0.119 -0.702 1.070 0.00 0.00 +0.210 HD ENDBRANCH 2 38 TORSDOF 14