REMARK Name = BDB044636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.131 -0.344 1.791 0.00 0.00 +0.118 C ATOM 2 C LIG 1 3.197 0.765 1.768 0.00 0.00 +0.042 C ATOM 3 C LIG 1 1.944 0.633 2.240 0.00 0.00 -0.010 C ATOM 4 C LIG 1 1.489 -0.684 2.823 0.00 0.00 +0.104 C ATOM 5 C LIG 1 2.264 -1.882 2.243 0.00 0.00 +0.147 C ATOM 6 N LIG 1 2.049 -3.032 3.122 0.00 0.00 -0.264 NA ATOM 7 C LIG 1 0.800 -3.201 3.412 0.00 0.00 +0.217 C ATOM 8 N LIG 1 -0.228 -2.399 2.981 0.00 0.00 -0.225 NA ATOM 9 C LIG 1 0.033 -1.163 2.656 0.00 0.00 +0.110 C ATOM 10 C LIG 1 3.725 -1.593 2.071 0.00 0.00 +0.046 C ENDROOT BRANCH 9 11 ATOM 11 N LIG 1 -0.900 -0.255 2.193 0.00 0.00 -0.302 N ATOM 12 H LIG 1 -0.547 0.638 1.874 0.00 0.00 +0.153 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.264 -0.429 1.884 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.989 -1.601 2.111 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -4.348 -1.694 1.776 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -5.024 -0.611 1.212 0.00 0.00 +0.035 A ATOM 17 C LIG 1 -4.323 0.575 1.011 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -2.964 0.661 1.342 0.00 0.00 +0.025 A BRANCH 16 19 ATOM 19 N LIG 1 -6.389 -0.780 0.904 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -6.781 -1.695 1.070 0.00 0.00 +0.156 HD ATOM 21 C LIG 1 -7.196 0.077 0.185 0.00 0.00 +0.304 C ATOM 22 N LIG 1 -8.498 -0.394 0.160 0.00 0.00 -0.296 N ATOM 23 H LIG 1 -8.779 -0.881 0.999 0.00 0.00 +0.151 HD ATOM 24 O LIG 1 -6.852 1.105 -0.384 0.00 0.00 -0.253 OA BRANCH 22 25 ATOM 25 C LIG 1 -9.544 0.366 -0.520 0.00 0.00 +0.074 C ATOM 26 C LIG 1 -9.997 1.581 0.314 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -11.280 1.298 1.093 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -12.442 0.938 0.161 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -12.003 0.197 -1.104 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -10.707 -0.574 -0.884 0.00 0.00 +0.022 C ENDBRANCH 22 25 ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 9 11 BRANCH 1 31 ATOM 31 O LIG 1 5.457 -0.033 1.594 0.00 0.00 -0.492 OA BRANCH 31 32 ATOM 32 C LIG 1 5.794 0.089 0.202 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 6.359 -1.231 -0.320 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 6.671 -1.190 -1.820 0.00 0.00 +0.087 C BRANCH 34 39 ATOM 35 C LIG 1 10.428 2.238 -2.468 0.00 0.00 +0.007 C ATOM 36 C LIG 1 10.078 1.032 -3.346 0.00 0.00 -0.012 C ATOM 37 C LIG 1 8.671 1.184 -3.959 0.00 0.00 +0.018 C ATOM 38 C LIG 1 7.741 0.011 -3.635 0.00 0.00 +0.084 C ATOM 39 N LIG 1 7.701 -0.206 -2.186 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 9.023 -0.542 -1.626 0.00 0.00 +0.084 C ATOM 41 C LIG 1 10.206 -0.284 -2.572 0.00 0.00 +0.018 C ENDBRANCH 34 39 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 9