REMARK Name = BDB061207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.537 0.667 -0.452 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.765 1.058 -1.565 0.00 0.00 +0.057 A ATOM 3 C LIG 1 0.591 0.717 -1.624 0.00 0.00 +0.047 A ATOM 4 C LIG 1 1.367 1.123 -2.796 0.00 0.00 +0.144 A ATOM 5 N LIG 1 0.894 1.822 -3.779 0.00 0.00 -0.179 NA ATOM 6 N LIG 1 -0.414 2.171 -3.712 0.00 0.00 -0.243 N ATOM 7 H LIG 1 -0.785 2.679 -4.510 0.00 0.00 +0.192 HD ATOM 8 C LIG 1 1.181 -0.014 -0.593 0.00 0.00 +0.128 A ATOM 9 N LIG 1 0.442 -0.435 0.448 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -1.306 1.816 -2.727 0.00 0.00 +0.273 A ATOM 11 O LIG 1 -2.489 2.120 -2.835 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -0.869 -0.103 0.496 0.00 0.00 +0.117 A ENDROOT BRANCH 1 18 ATOM 13 C LIG 1 -7.851 -0.809 0.649 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -6.645 -0.615 1.534 0.00 0.00 +0.212 C ATOM 15 N LIG 1 -5.474 -0.189 0.921 0.00 0.00 -0.302 N ATOM 16 C LIG 1 -5.328 -0.013 -0.524 0.00 0.00 +0.108 C ATOM 17 C LIG 1 -3.871 -0.088 -0.963 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -3.015 0.987 -0.268 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -3.467 1.224 1.196 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -4.305 0.077 1.754 0.00 0.00 +0.108 C ATOM 21 O LIG 1 -6.720 -0.837 2.743 0.00 0.00 -0.276 OA ENDBRANCH 1 18 BRANCH 8 22 ATOM 22 N LIG 1 2.543 -0.347 -0.627 0.00 0.00 -0.324 N ATOM 23 H LIG 1 3.111 0.491 -0.703 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.002 -1.203 0.465 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 4.482 -1.424 0.325 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.422 -0.525 0.822 0.00 0.00 +0.005 A ATOM 27 C LIG 1 5.238 0.713 1.618 0.00 0.00 +0.080 C ATOM 28 C LIG 1 6.655 1.280 1.530 0.00 0.00 +0.234 C ATOM 29 O LIG 1 7.577 0.206 1.239 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 6.784 -0.759 0.673 0.00 0.00 +0.124 A ATOM 31 C LIG 1 7.275 -1.877 0.031 0.00 0.00 +0.049 A ATOM 32 C LIG 1 6.352 -2.784 -0.489 0.00 0.00 +0.042 A ATOM 33 C LIG 1 4.977 -2.552 -0.343 0.00 0.00 +0.129 A ATOM 34 F LIG 1 4.123 -3.453 -0.852 0.00 0.00 -0.205 F ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 4