REMARK Name = BDB016708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.962 1.867 -0.835 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.546 3.070 -0.237 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.197 3.218 0.112 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.234 2.243 -0.122 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.017 2.804 0.378 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.225 4.013 0.919 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.647 1.041 -0.726 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.529 4.245 0.716 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.911 5.130 1.028 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.995 0.878 -1.080 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -8.019 -2.594 -1.538 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -7.237 -1.522 -0.984 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -6.440 -1.642 0.172 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -5.834 -0.402 0.445 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -5.022 -0.277 1.563 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.812 -1.394 2.379 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.420 -2.624 2.083 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.266 0.568 -0.618 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -5.403 1.650 -1.239 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -6.538 2.012 -0.302 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.248 -2.757 0.968 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -7.197 -0.233 -1.501 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -7.779 0.219 -2.474 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 1.290 2.214 0.378 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.787 1.364 -0.537 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 3.146 0.810 -0.484 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.355 -0.515 -0.864 0.00 0.00 +0.010 A ATOM 28 C LIG 1 4.644 -1.065 -0.850 0.00 0.00 +0.024 A ATOM 29 C LIG 1 5.771 -0.317 -0.469 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.543 1.020 -0.117 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.255 1.578 -0.124 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 N LIG 1 7.036 -0.908 -0.476 0.00 0.00 -0.327 N ATOM 33 C LIG 1 7.124 -2.219 0.212 0.00 0.00 +0.120 C ATOM 34 C LIG 1 8.563 -2.534 0.683 0.00 0.00 +0.100 C ATOM 35 N LIG 1 9.181 -1.488 1.522 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 8.792 -1.551 2.463 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 8.877 -0.136 1.000 0.00 0.00 +0.100 C ATOM 38 C LIG 1 8.266 -0.097 -0.416 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 4